N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride

C18H24ClN5O3 — CID 119309115

IUPACN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)C3CCCNC3)cn2)cc1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-26-16-6-4-14(5-7-16)21-17(24)12-23-11-15(10-20-23)22-18(25)13-3-2-8-19-9-13;/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25);1H
InChIKeyWTYIREFCTHLVPV-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.89
Rot. Bonds6

About N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride

N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119309115) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119309115
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC NameN-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)C3CCCNC3)cn2)cc1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-26-16-6-4-14(5-7-16)21-17(24)12-23-11-15(10-20-23)22-18(25)13-3-2-8-19-9-13;/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25);1H
InChIKeyWTYIREFCTHLVPV-UHFFFAOYSA-N
XLogP1.89
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119309091
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119265973
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride (CID 119309115) is N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride is COc1ccc(NC(=O)Cn2cc(NC(=O)C3CCCNC3)cn2)cc1.Cl.
What is the InChIKey of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WTYIREFCTHLVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c1-26-16-6-4-14(5-7-16)21-17(24)12-23-11-15(10-20-23)22-18(25)13-3-2-8-19-9-13;/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25);1H.
What are the key properties of N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119309115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).