[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone

C18H26N2O — CID 125146424

IUPAC[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2N)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-13-12-20(18(21)16-8-5-9-17(16)19)11-10-15(13)14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15-,16-,17+/m1/s1
InChIKeyJKWXJHCLZAASLV-DZUCGIPZSA-N
MW286.42 g/mol
LogP2.77
Rot. Bonds2

About [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone

[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone (PubChem CID 125146424) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
PubChem CID125146424
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2N)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-13-12-20(18(21)16-8-5-9-17(16)19)11-10-15(13)14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15-,16-,17+/m1/s1
InChIKeyJKWXJHCLZAASLV-DZUCGIPZSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336209
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
1-[(3S,4R)-3-methyl-4-phenylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124591000
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone (CID 125146424) is [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2N)CC[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone?
The InChIKey is JKWXJHCLZAASLV-DZUCGIPZSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-12-20(18(21)16-8-5-9-17(16)19)11-10-15(13)14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,19H2,1H3/t13-,15-,16-,17+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone?
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 125146424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).