(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

C22H32N4O2 — CID 95539357

IUPAC(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)n1
InChIInChI=1S/C22H32N4O2/c1-16-4-2-6-19(24-16)14-23-21(27)18-5-3-11-26(15-18)20-9-12-25(13-10-20)22(28)17-7-8-17/h2,4,6,17-18,20H,3,5,7-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyDVFOWJLCDVVCRR-SFHVURJKSA-N
MW384.52 g/mol
LogP2.12
Rot. Bonds5

About (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 95539357) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID95539357
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)n1
InChIInChI=1S/C22H32N4O2/c1-16-4-2-6-19(24-16)14-23-21(27)18-5-3-11-26(15-18)20-9-12-25(13-10-20)22(28)17-7-8-17/h2,4,6,17-18,20H,3,5,7-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyDVFOWJLCDVVCRR-SFHVURJKSA-N
XLogP2.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 95398944
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
CID 45212843
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 95539357) is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@H]2CCCN(C3CCN(C(=O)C4CC4)CC3)C2)n1.
What is the InChIKey of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is DVFOWJLCDVVCRR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-4-2-6-19(24-16)14-23-21(27)18-5-3-11-26(15-18)20-9-12-25(13-10-20)22(28)17-7-8-17/h2,4,6,17-18,20H,3,5,7-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide?
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95539357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).