2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C16H21N5O — CID 97078468

IUPAC2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1CCCC[C@@H]1c1ncc[nH]1)NCc1cccnc1
InChIInChI=1S/C16H21N5O/c22-15(20-11-13-4-3-6-17-10-13)12-21-9-2-1-5-14(21)16-18-7-8-19-16/h3-4,6-8,10,14H,1-2,5,9,11-12H2,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyAYTLRUGXSCLMEO-CQSZACIVSA-N
MW299.38 g/mol
LogP1.65
Rot. Bonds5

About 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 97078468) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID97078468
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1CCCC[C@@H]1c1ncc[nH]1)NCc1cccnc1
InChIInChI=1S/C16H21N5O/c22-15(20-11-13-4-3-6-17-10-13)12-21-9-2-1-5-14(21)16-18-7-8-19-16/h3-4,6-8,10,14H,1-2,5,9,11-12H2,(H,18,19)(H,20,22)/t14-/m1/s1
InChIKeyAYTLRUGXSCLMEO-CQSZACIVSA-N
XLogP1.65
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477373
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 71988848
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 128986753

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 97078468) is 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1CCCC[C@@H]1c1ncc[nH]1)NCc1cccnc1.
What is the InChIKey of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AYTLRUGXSCLMEO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O/c22-15(20-11-13-4-3-6-17-10-13)12-21-9-2-1-5-14(21)16-18-7-8-19-16/h3-4,6-8,10,14H,1-2,5,9,11-12H2,(H,18,19)(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 299.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 97078468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).