N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H22N6O2 — CID 120920936

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C17H22N6O2/c18-16(25)22-14-4-2-13(3-5-14)12-20-15(24)17(6-9-19-10-7-17)23-11-1-8-21-23/h1-5,8,11,19H,6-7,9-10,12H2,(H,20,24)(H3,18,22,25)
InChIKeyPACAPDNJFRJLGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.77
Rot. Bonds5

About N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120920936) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120920936
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C17H22N6O2/c18-16(25)22-14-4-2-13(3-5-14)12-20-15(24)17(6-9-19-10-7-17)23-11-1-8-21-23/h1-5,8,11,19H,6-7,9-10,12H2,(H,20,24)(H3,18,22,25)
InChIKeyPACAPDNJFRJLGO-UHFFFAOYSA-N
XLogP0.77
TPSA114.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120920936) is N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is NC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is PACAPDNJFRJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16(25)22-14-4-2-13(3-5-14)12-20-15(24)17(6-9-19-10-7-17)23-11-1-8-21-23/h1-5,8,11,19H,6-7,9-10,12H2,(H,20,24)(H3,18,22,25).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120920936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).