[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

C19H28N2O2 — CID 124698060

IUPAC[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)cc1C
InChIInChI=1S/C19H28N2O2/c1-13-3-6-18(11-14(13)2)23-17-7-9-21(10-8-17)19(22)15-4-5-16(20)12-15/h3,6,11,15-17H,4-5,7-10,12,20H2,1-2H3/t15-,16+/m1/s1
InChIKeyAELUJIUFTZXPEL-CVEARBPZSA-N
MW316.45 g/mol
LogP2.80
Rot. Bonds3

About [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone (PubChem CID 124698060) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
PubChem CID124698060
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)cc1C
InChIInChI=1S/C19H28N2O2/c1-13-3-6-18(11-14(13)2)23-17-7-9-21(10-8-17)19(22)15-4-5-16(20)12-15/h3,6,11,15-17H,4-5,7-10,12,20H2,1-2H3/t15-,16+/m1/s1
InChIKeyAELUJIUFTZXPEL-CVEARBPZSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
CID 56814296
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120926045
(2S)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-ethoxypropan-1-one
CID 124507229
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 155508194

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone (CID 124698060) is [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)cc1C.
What is the InChIKey of [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The InChIKey is AELUJIUFTZXPEL-CVEARBPZSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-3-6-18(11-14(13)2)23-17-7-9-21(10-8-17)19(22)15-4-5-16(20)12-15/h3,6,11,15-17H,4-5,7-10,12,20H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 124698060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).