N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C17H23N5O2 — CID 154766014

IUPACN-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2cccnc2)C1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C17H23N5O2/c1-12(15-8-16(23)21-20-15)19-17(24)14-5-3-7-22(11-14)10-13-4-2-6-18-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyIZINTVGVRZNJHK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.19
Rot. Bonds5

About N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 154766014) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID154766014
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(Cc2cccnc2)C1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C17H23N5O2/c1-12(15-8-16(23)21-20-15)19-17(24)14-5-3-7-22(11-14)10-13-4-2-6-18-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyIZINTVGVRZNJHK-UHFFFAOYSA-N
XLogP1.19
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95275460
[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 126837846
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155947567
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 95234307
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
1-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46773192
(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95282277

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 154766014) is N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(Cc2cccnc2)C1)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IZINTVGVRZNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(15-8-16(23)21-20-15)19-17(24)14-5-3-7-22(11-14)10-13-4-2-6-18-9-13/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H,19,24)(H2,20,21,23).
What are the key properties of N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 154766014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).