(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H21N5O — CID 98573372

IUPAC(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H21N5O/c1-13(15-7-5-14(10-19)6-8-15)22-18(24)23-9-3-2-4-17(23)16-11-20-21-12-16/h5-8,11-13,17H,2-4,9H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyGQFVIJFREMZJJJ-SUMWQHHRSA-N
MW323.40 g/mol
LogP3.28
Rot. Bonds3

About (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 98573372) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID98573372
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H21N5O/c1-13(15-7-5-14(10-19)6-8-15)22-18(24)23-9-3-2-4-17(23)16-11-20-21-12-16/h5-8,11-13,17H,2-4,9H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1
InChIKeyGQFVIJFREMZJJJ-SUMWQHHRSA-N
XLogP3.28
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 47254048
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 136521486
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597437
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86784707
3-amino-2-methyl-3-phenyl-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888376
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97252299
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 98573372) is (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is GQFVIJFREMZJJJ-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(15-7-5-14(10-19)6-8-15)22-18(24)23-9-3-2-4-17(23)16-11-20-21-12-16/h5-8,11-13,17H,2-4,9H2,1H3,(H,20,21)(H,22,24)/t13-,17+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 98573372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).