3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide

C21H23N5O — CID 42595661

IUPAC3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C21H23N5O/c27-21(17-6-3-5-16(11-17)18-12-23-24-13-18)25-20-8-4-10-26(15-20)14-19-7-1-2-9-22-19/h1-3,5-7,9,11-13,20H,4,8,10,14-15H2,(H,23,24)(H,25,27)/t20-/m0/s1
InChIKeyMNBMSDGRBKCTSZ-FQEVSTJZSA-N
MW361.45 g/mol
LogP2.87
Rot. Bonds5

About 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide

3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 42595661) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
PubChem CID42595661
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C21H23N5O/c27-21(17-6-3-5-16(11-17)18-12-23-24-13-18)25-20-8-4-10-26(15-20)14-19-7-1-2-9-22-19/h1-3,5-7,9,11-13,20H,4,8,10,14-15H2,(H,23,24)(H,25,27)/t20-/m0/s1
InChIKeyMNBMSDGRBKCTSZ-FQEVSTJZSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrazol-4-yl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide
CID 42595659
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 45223884
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 95896405
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246
3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858222
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide (CID 42595661) is 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide is O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is MNBMSDGRBKCTSZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(17-6-3-5-16(11-17)18-12-23-24-13-18)25-20-8-4-10-26(15-20)14-19-7-1-2-9-22-19/h1-3,5-7,9,11-13,20H,4,8,10,14-15H2,(H,23,24)(H,25,27)/t20-/m0/s1.
What are the key properties of 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide?
3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 42595661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).