N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride

C15H26ClN5O2 — CID 119479473

IUPACN-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)n[nH]1.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-10(2)12-8-13(19-18-12)15(22)20-7-3-4-11(9-20)14(21)17-6-5-16;/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,21)(H,18,19);1H
InChIKeyYVPFIBFEWJZTJH-UHFFFAOYSA-N
MW343.86 g/mol
LogP0.88
Rot. Bonds5

About N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119479473) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119479473
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC NameN-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)n[nH]1.Cl
InChIInChI=1S/C15H25N5O2.ClH/c1-10(2)12-8-13(19-18-12)15(22)20-7-3-4-11(9-20)14(21)17-6-5-16;/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,21)(H,18,19);1H
InChIKeyYVPFIBFEWJZTJH-UHFFFAOYSA-N
XLogP0.88
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480432
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119480469
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119479473) is N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)N2CCCC(C(=O)NCCN)C2)n[nH]1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is YVPFIBFEWJZTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-10(2)12-8-13(19-18-12)15(22)20-7-3-4-11(9-20)14(21)17-6-5-16;/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,21)(H,18,19);1H.
What are the key properties of N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).