N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H28N6O2 — CID 120925872

IUPACN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C21H28N6O2/c1-15(16-3-5-17(6-4-16)25-20(29)26-18-7-8-18)24-19(28)21(9-12-22-13-10-21)27-14-2-11-23-27/h2-6,11,14-15,18,22H,7-10,12-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyOYCIULKRTVZFSP-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.12
Rot. Bonds6

About N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120925872) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120925872
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C21H28N6O2/c1-15(16-3-5-17(6-4-16)25-20(29)26-18-7-8-18)24-19(28)21(9-12-22-13-10-21)27-14-2-11-23-27/h2-6,11,14-15,18,22H,7-10,12-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyOYCIULKRTVZFSP-UHFFFAOYSA-N
XLogP2.12
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
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-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928544
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937149
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934746
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930752

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120925872) is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(NC(=O)C1(n2cccn2)CCNCC1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is OYCIULKRTVZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-15(16-3-5-17(6-4-16)25-20(29)26-18-7-8-18)24-19(28)21(9-12-22-13-10-21)27-14-2-11-23-27/h2-6,11,14-15,18,22H,7-10,12-13H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120925872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).