1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone

C20H30N2O — CID 129430511

IUPAC1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O/c1-16(23)22-12-10-17(15-22)14-21(3)19-9-11-20(2,13-19)18-7-5-4-6-8-18/h4-8,17,19H,9-15H2,1-3H3/t17-,19+,20-/m1/s1
InChIKeyMELNFCCFLNXFLW-YZGWKJHDSA-N
MW314.47 g/mol
LogP3.30
Rot. Bonds4

About 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 129430511) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID129430511
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1
InChIInChI=1S/C20H30N2O/c1-16(23)22-12-10-17(15-22)14-21(3)19-9-11-20(2,13-19)18-7-5-4-6-8-18/h4-8,17,19H,9-15H2,1-3H3/t17-,19+,20-/m1/s1
InChIKeyMELNFCCFLNXFLW-YZGWKJHDSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone
CID 95119683
1-[3-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 110009631
(1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 46949150
1-[(1-acetylpyrrolidin-3-yl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 75389112
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553174
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659
1-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 110246207
3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
CID 174821287

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone (CID 129430511) is 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1.
What is the InChIKey of 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is MELNFCCFLNXFLW-YZGWKJHDSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16(23)22-12-10-17(15-22)14-21(3)19-9-11-20(2,13-19)18-7-5-4-6-8-18/h4-8,17,19H,9-15H2,1-3H3/t17-,19+,20-/m1/s1.
What are the key properties of 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[methyl-[(1S,3R)-3-methyl-3-phenylcyclopentyl]amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129430511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).