piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone

C21H26N4O2 — CID 135095898

IUPACpiperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1)N1CCCCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-10-2-1-3-11-25)17-4-5-20(23-13-17)24-19-15-27-14-18(19)12-16-6-8-22-9-7-16/h4-9,13,18-19H,1-3,10-12,14-15H2,(H,23,24)/t18-,19+/m1/s1
InChIKeyNVEXBJVDXMDMIG-MOPGFXCFSA-N
MW366.46 g/mol
LogP2.77
Rot. Bonds5

About piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone

piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone (PubChem CID 135095898) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone
PubChem CID135095898
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Namepiperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1)N1CCCCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-10-2-1-3-11-25)17-4-5-20(23-13-17)24-19-15-27-14-18(19)12-16-6-8-22-9-7-16/h4-9,13,18-19H,1-3,10-12,14-15H2,(H,23,24)/t18-,19+/m1/s1
InChIKeyNVEXBJVDXMDMIG-MOPGFXCFSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
CID 135104961
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134709446
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone (CID 135095898) is piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone is O=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone?
The InChIKey is NVEXBJVDXMDMIG-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(25-10-2-1-3-11-25)17-4-5-20(23-13-17)24-19-15-27-14-18(19)12-16-6-8-22-9-7-16/h4-9,13,18-19H,1-3,10-12,14-15H2,(H,23,24)/t18-,19+/m1/s1.
What are the key properties of piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone?
piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone has a molecular weight of 366.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 135095898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).