N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H28N6O2 — CID 120925254

IUPACN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C20H28N6O2/c1-15(2)24-19(28)25-17-6-4-16(5-7-17)14-22-18(27)20(8-11-21-12-9-20)26-13-3-10-23-26/h3-7,10,13,15,21H,8-9,11-12,14H2,1-2H3,(H,22,27)(H2,24,25,28)
InChIKeyHSYNFCVDDPZLBS-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.81
Rot. Bonds6

About N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120925254) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120925254
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C20H28N6O2/c1-15(2)24-19(28)25-17-6-4-16(5-7-17)14-22-18(27)20(8-11-21-12-9-20)26-13-3-10-23-26/h3-7,10,13,15,21H,8-9,11-12,14H2,1-2H3,(H,22,27)(H2,24,25,28)
InChIKeyHSYNFCVDDPZLBS-UHFFFAOYSA-N
XLogP1.81
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925872
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120925254) is N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is HSYNFCVDDPZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)24-19(28)25-17-6-4-16(5-7-17)14-22-18(27)20(8-11-21-12-9-20)26-13-3-10-23-26/h3-7,10,13,15,21H,8-9,11-12,14H2,1-2H3,(H,22,27)(H2,24,25,28).
What are the key properties of N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120925254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).