N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H28ClN5O2 — CID 120924061

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-15(16-5-7-18(8-6-16)25-19(27)17-3-4-17)24-20(28)21(9-12-22-13-10-21)26-14-2-11-23-26;/h2,5-8,11,14-15,17,22H,3-4,9-10,12-13H2,1H3,(H,24,28)(H,25,27);1H
InChIKeySNHZQVAQMMVUIN-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.61
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120924061) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120924061
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-15(16-5-7-18(8-6-16)25-19(27)17-3-4-17)24-20(28)21(9-12-22-13-10-21)26-14-2-11-23-26;/h2,5-8,11,14-15,17,22H,3-4,9-10,12-13H2,1H3,(H,24,28)(H,25,27);1H
InChIKeySNHZQVAQMMVUIN-UHFFFAOYSA-N
XLogP2.61
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925872
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-(3,4-dimethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923777
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928544
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934746
N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937149

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120924061) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)C2CC2)cc1.Cl.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SNHZQVAQMMVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.ClH/c1-15(16-5-7-18(8-6-16)25-19(27)17-3-4-17)24-20(28)21(9-12-22-13-10-21)26-14-2-11-23-26;/h2,5-8,11,14-15,17,22H,3-4,9-10,12-13H2,1H3,(H,24,28)(H,25,27);1H.
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).