(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

C21H34N2O — CID 143163887

IUPAC(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC.NC1CCC(C(=O)N2CC=C(c3ccccc3)CC2)C1
InChIInChI=1S/C17H22N2O.2C2H6/c18-16-7-6-15(12-16)17(20)19-10-8-14(9-11-19)13-4-2-1-3-5-13;2*1-2/h1-5,8,15-16H,6-7,9-12,18H2;2*1-2H3
InChIKeyRSVFBNAHZXSPQS-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.48
Rot. Bonds2

About (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane

(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (PubChem CID 143163887) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
PubChem CID143163887
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
SMILESCC.CC.NC1CCC(C(=O)N2CC=C(c3ccccc3)CC2)C1
InChIInChI=1S/C17H22N2O.2C2H6/c18-16-7-6-15(12-16)17(20)19-10-8-14(9-11-19)13-4-2-1-3-5-13;2*1-2/h1-5,8,15-16H,6-7,9-12,18H2;2*1-2H3
InChIKeyRSVFBNAHZXSPQS-UHFFFAOYSA-N
XLogP4.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;hydrochloride
CID 155938938
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;hydrochloride
CID 163334679
trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 86598266
(4-aminocyclohexyl)-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172894832
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877456
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 60715502
2-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977486
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125177029
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The IUPAC name of (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane (CID 143163887) is (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane.
What is the SMILES notation for (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The canonical SMILES for (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is CC.CC.NC1CCC(C(=O)N2CC=C(c3ccccc3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
The InChIKey is RSVFBNAHZXSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.2C2H6/c18-16-7-6-15(12-16)17(20)19-10-8-14(9-11-19)13-4-2-1-3-5-13;2*1-2/h1-5,8,15-16H,6-7,9-12,18H2;2*1-2H3.
What are the key properties of (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane?
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane has a molecular weight of 330.52 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane is sourced from PubChem (CID 143163887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).