N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

C22H27N3O2S — CID 91815641

IUPACN-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C22H27N3O2S/c26-22(18-6-10-23-21(14-18)27-20-9-13-28-16-20)24-19-7-11-25(12-8-19)15-17-4-2-1-3-5-17/h1-6,10,14,19-20H,7-9,11-13,15-16H2,(H,24,26)
InChIKeyHJGSLZNVVQBCPC-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.36
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 91815641) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
PubChem CID91815641
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C22H27N3O2S/c26-22(18-6-10-23-21(14-18)27-20-9-13-28-16-20)24-19-7-11-25(12-8-19)15-17-4-2-1-3-5-17/h1-6,10,14,19-20H,7-9,11-13,15-16H2,(H,24,26)
InChIKeyHJGSLZNVVQBCPC-UHFFFAOYSA-N
XLogP3.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735448
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 136530424
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (CID 91815641) is N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccnc(OC2CCSC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is HJGSLZNVVQBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-22(18-6-10-23-21(14-18)27-20-9-13-28-16-20)24-19-7-11-25(12-8-19)15-17-4-2-1-3-5-17/h1-6,10,14,19-20H,7-9,11-13,15-16H2,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 91815641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).