(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

C19H28N6O2 — CID 126429422

IUPAC(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-10-14(22-23-15)11-21-18(27)25-8-5-6-13(12-25)16(26)17-20-7-9-24(17)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,21,27)(H,22,23)/t13-/m1/s1
InChIKeyCZTDNCYHLPSVKE-CYBMUJFWSA-N
MW372.47 g/mol
LogP2.25
Rot. Bonds4

About (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 126429422) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID126429422
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)C1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)15-10-14(22-23-15)11-21-18(27)25-8-5-6-13(12-25)16(26)17-20-7-9-24(17)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,21,27)(H,22,23)/t13-/m1/s1
InChIKeyCZTDNCYHLPSVKE-CYBMUJFWSA-N
XLogP2.25
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126447086
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126424079
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 70723597
[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786688
[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786107
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 121498352
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (CID 126429422) is (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)C1.
What is the InChIKey of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is CZTDNCYHLPSVKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)15-10-14(22-23-15)11-21-18(27)25-8-5-6-13(12-25)16(26)17-20-7-9-24(17)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,21,27)(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 126429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).