N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline

C29H37N5O2 — CID 142234594

IUPACN-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline
SMILESNC(=O)C(NC(=O)C1CCCCC1)c1ccccc1.c1ccc2ncc(CN3CCNCC3)cc2c1
InChIInChI=1S/C15H20N2O2.C14H17N3/c16-14(18)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;1-2-4-14-13(3-1)9-12(10-16-14)11-17-7-5-15-6-8-17/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,16,18)(H,17,19);1-4,9-10,15H,5-8,11H2
InChIKeyNFTUGKOHQHIGJL-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.55
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline

N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline (PubChem CID 142234594) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline
PubChem CID142234594
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline
SMILESNC(=O)C(NC(=O)C1CCCCC1)c1ccccc1.c1ccc2ncc(CN3CCNCC3)cc2c1
InChIInChI=1S/C15H20N2O2.C14H17N3/c16-14(18)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;1-2-4-14-13(3-1)9-12(10-16-14)11-17-7-5-15-6-8-17/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,16,18)(H,17,19);1-4,9-10,15H,5-8,11H2
InChIKeyNFTUGKOHQHIGJL-UHFFFAOYSA-N
XLogP3.55
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline with MolForge

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Related Compounds

trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-piperazin-1-ylcyclohexane-1-carboxamide;trans-(1S,2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-piperazin-1-ylcyclohexane-1-carboxamide
CID 159017930
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
(3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid
CID 10719036
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
trans-(1S,2S)-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 142234602
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
CID 11653164
N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119855878

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline (CID 142234594) is N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline is NC(=O)C(NC(=O)C1CCCCC1)c1ccccc1.c1ccc2ncc(CN3CCNCC3)cc2c1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline?
The InChIKey is NFTUGKOHQHIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C14H17N3/c16-14(18)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12;1-2-4-14-13(3-1)9-12(10-16-14)11-17-7-5-15-6-8-17/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H2,16,18)(H,17,19);1-4,9-10,15H,5-8,11H2.
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline?
N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline has a molecular weight of 487.65 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)cyclohexanecarboxamide;3-(piperazin-1-ylmethyl)quinoline is sourced from PubChem (CID 142234594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).