[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C24H36F3N5O2 — CID 91369014

IUPAC[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)C1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC[C@@H](NC2CCOC[C@H]2C)C1
InChIInChI=1S/C24H36F3N5O2/c1-16(2)23(7-4-18(14-23)29-19-6-13-34-15-17(19)3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18-,19?,23?/m1/s1
InChIKeyXVUUAOSJMGWPAJ-XMFZZSFMSA-N
MW483.58 g/mol
LogP3.35
Rot. Bonds5

About [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 91369014) has the molecular formula C24H36F3N5O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID91369014
Molecular FormulaC24H36F3N5O2
Molecular Weight483.58 g/mol
Exact Mass483.28
IUPAC Name[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)C1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC[C@@H](NC2CCOC[C@H]2C)C1
InChIInChI=1S/C24H36F3N5O2/c1-16(2)23(7-4-18(14-23)29-19-6-13-34-15-17(19)3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18-,19?,23?/m1/s1
InChIKeyXVUUAOSJMGWPAJ-XMFZZSFMSA-N
XLogP3.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 53322810
[(1S,3S)-1-(2-hydroxypropan-2-yl)-3-[[(4R)-3-methyloxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 68599565
[3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 73068008
[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 68595784
[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 11598474
[(1S,3R)-1-(methoxymethyl)-3-[[(4R)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 69006360
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 54585107
[(4R)-4-[(3-methyloxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 71052749
[(1S,3R)-3-(1,2-diphenylethylamino)-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 90975980
[3-(oxolan-3-ylamino)-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 74072655
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]methanone
CID 11720217
[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 23630259

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 91369014) is [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is CC(C)C1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC[C@@H](NC2CCOC[C@H]2C)C1.
What is the InChIKey of [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is XVUUAOSJMGWPAJ-XMFZZSFMSA-N. The full InChI is InChI=1S/C24H36F3N5O2/c1-16(2)23(7-4-18(14-23)29-19-6-13-34-15-17(19)3)21(33)31-9-11-32(12-10-31)22-28-8-5-20(30-22)24(25,26)27/h5,8,16-19,29H,4,6-7,9-15H2,1-3H3/t17-,18-,19?,23?/m1/s1.
What are the key properties of [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 483.58 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91369014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).