N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H29N5O2 — CID 120933669

IUPACN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(=O)N(Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)C(C)C
InChIInChI=1S/C21H29N5O2/c1-16(2)25(17(3)27)15-18-5-7-19(8-6-18)24-20(28)21(9-12-22-13-10-21)26-14-4-11-23-26/h4-8,11,14,16,22H,9-10,12-13,15H2,1-3H3,(H,24,28)
InChIKeyYKSUBSAVMVXUJR-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.36
Rot. Bonds6

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

N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120933669) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120933669
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(=O)N(Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)C(C)C
InChIInChI=1S/C21H29N5O2/c1-16(2)25(17(3)27)15-18-5-7-19(8-6-18)24-20(28)21(9-12-22-13-10-21)26-14-4-11-23-26/h4-8,11,14,16,22H,9-10,12-13,15H2,1-3H3,(H,24,28)
InChIKeyYKSUBSAVMVXUJR-UHFFFAOYSA-N
XLogP2.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923921
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925254
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929482
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927555
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120933669) is N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(=O)N(Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1)C(C)C.
What is the InChIKey of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is YKSUBSAVMVXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16(2)25(17(3)27)15-18-5-7-19(8-6-18)24-20(28)21(9-12-22-13-10-21)26-14-4-11-23-26/h4-8,11,14,16,22H,9-10,12-13,15H2,1-3H3,(H,24,28).
What are the key properties of N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120933669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).