2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide

C25H39N3O2 — CID 26404894

IUPAC2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
SMILESCC1(C)C[C@@H](NC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CCO1
InChIInChI=1S/C25H39N3O2/c1-25(2)18-22(12-15-30-25)26-20-10-13-28(14-11-20)23-9-5-8-21(17-23)27-24(29)16-19-6-3-4-7-19/h5,8-9,17,19-20,22,26H,3-4,6-7,10-16,18H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyBGLKPNZFESCDTD-QFIPXVFZSA-N
MW413.61 g/mol
LogP4.72
Rot. Bonds6

About 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide

2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide (PubChem CID 26404894) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
PubChem CID26404894
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
SMILESCC1(C)C[C@@H](NC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CCO1
InChIInChI=1S/C25H39N3O2/c1-25(2)18-22(12-15-30-25)26-20-10-13-28(14-11-20)23-9-5-8-21(17-23)27-24(29)16-19-6-3-4-7-19/h5,8-9,17,19-20,22,26H,3-4,6-7,10-16,18H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyBGLKPNZFESCDTD-QFIPXVFZSA-N
XLogP4.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
CID 103904738
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CID 45252509
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
2-cyclopentyl-N-[3-[4-(3-imidazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42483779
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CID 42165920
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
2-(2,2-dimethyl-3-phenylcyclopropyl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 123186065
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
2-[(2,2-dimethyloxan-4-yl)amino]-N-phenylacetamide
CID 83033070

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide (CID 26404894) is 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide is CC1(C)C[C@@H](NC2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CCO1.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide?
The InChIKey is BGLKPNZFESCDTD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-25(2)18-22(12-15-30-25)26-20-10-13-28(14-11-20)23-9-5-8-21(17-23)27-24(29)16-19-6-3-4-7-19/h5,8-9,17,19-20,22,26H,3-4,6-7,10-16,18H2,1-2H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide?
2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide has a molecular weight of 413.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 26404894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).