N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H23N5O3 — CID 118762325

IUPACN-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCCC(c3ccn[nH]3)C2)ccc1OC
InChIInChI=1S/C18H23N5O3/c1-19-17(24)14-10-13(5-6-16(14)26-2)21-18(25)23-9-3-4-12(11-23)15-7-8-20-22-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,25)
InChIKeyLEGJUKLSEBIROW-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.19
Rot. Bonds4

About N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 118762325) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID118762325
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCCC(c3ccn[nH]3)C2)ccc1OC
InChIInChI=1S/C18H23N5O3/c1-19-17(24)14-10-13(5-6-16(14)26-2)21-18(25)23-9-3-4-12(11-23)15-7-8-20-22-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,25)
InChIKeyLEGJUKLSEBIROW-UHFFFAOYSA-N
XLogP2.19
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
N-(2,6-dimethoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118763053
(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 124562913
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
2-(2-methoxyethylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 79281663
2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119042237
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97282135
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
5-[(3S)-1-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879537
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 118762325) is N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CNC(=O)c1cc(NC(=O)N2CCCC(c3ccn[nH]3)C2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LEGJUKLSEBIROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-19-17(24)14-10-13(5-6-16(14)26-2)21-18(25)23-9-3-4-12(11-23)15-7-8-20-22-15/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,25).
What are the key properties of N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118762325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).