(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide

C15H22N6O2 — CID 96999721

IUPAC(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCOCCn1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1
InChIInChI=1S/C15H22N6O2/c1-23-11-10-20-9-5-13(19-20)18-15(22)21-8-3-2-4-12(21)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,16,17)(H,18,19,22)/t12-/m0/s1
InChIKeyBMBGLIDLTYNVJF-LBPRGKRZSA-N
MW318.38 g/mol
LogP2.01
Rot. Bonds5

About (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide

(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 96999721) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID96999721
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCOCCn1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1
InChIInChI=1S/C15H22N6O2/c1-23-11-10-20-9-5-13(19-20)18-15(22)21-8-3-2-4-12(21)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,16,17)(H,18,19,22)/t12-/m0/s1
InChIKeyBMBGLIDLTYNVJF-LBPRGKRZSA-N
XLogP2.01
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71969302
N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 96999721) is (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide is COCCn1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is BMBGLIDLTYNVJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-23-11-10-20-9-5-13(19-20)18-15(22)21-8-3-2-4-12(21)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,16,17)(H,18,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide?
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 96999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).