N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride

C18H23ClN4O3 — CID 119480900

IUPACN-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N4O3.ClH/c19-7-8-20-17(24)12-4-3-9-22(11-12)18(25)14-10-16(23)21-15-6-2-1-5-13(14)15;/h1-2,5-6,10,12H,3-4,7-9,11,19H2,(H,20,24)(H,21,23);1H
InChIKeyDMCXXKVMZRBMHA-UHFFFAOYSA-N
MW378.86 g/mol
LogP0.88
Rot. Bonds4

About N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119480900) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119480900
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N4O3.ClH/c19-7-8-20-17(24)12-4-3-9-22(11-12)18(25)14-10-16(23)21-15-6-2-1-5-13(14)15;/h1-2,5-6,10,12H,3-4,7-9,11,19H2,(H,20,24)(H,21,23);1H
InChIKeyDMCXXKVMZRBMHA-UHFFFAOYSA-N
XLogP0.88
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119480900) is N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DMCXXKVMZRBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c19-7-8-20-17(24)12-4-3-9-22(11-12)18(25)14-10-16(23)21-15-6-2-1-5-13(14)15;/h1-2,5-6,10,12H,3-4,7-9,11,19H2,(H,20,24)(H,21,23);1H.
What are the key properties of N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).