[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone

C19H28N2O3 — CID 124686970

IUPAC[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CC[C@H](N)C[C@H]2C)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-13-11-15(20)9-10-21(13)19(22)14-7-8-17(18(12-14)23-2)24-16-5-3-4-6-16/h7-8,12-13,15-16H,3-6,9-11,20H2,1-2H3/t13-,15+/m1/s1
InChIKeyGGPBCCRQROPFIM-HIFRSBDPSA-N
MW332.44 g/mol
LogP2.97
Rot. Bonds4

About [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone (PubChem CID 124686970) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
PubChem CID124686970
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CC[C@H](N)C[C@H]2C)ccc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-13-11-15(20)9-10-21(13)19(22)14-7-8-17(18(12-14)23-2)24-16-5-3-4-6-16/h7-8,12-13,15-16H,3-6,9-11,20H2,1-2H3/t13-,15+/m1/s1
InChIKeyGGPBCCRQROPFIM-HIFRSBDPSA-N
XLogP2.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
(4-cyclopentyloxy-3-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572061
(3S,4S)-1-(4-cyclopentyloxy-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953526
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
2-[4-(4-cyclopentyloxy-3-methoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210789
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534462
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
CID 24790521
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone?
The IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone (CID 124686970) is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone?
The canonical SMILES for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone is COc1cc(C(=O)N2CC[C@H](N)C[C@H]2C)ccc1OC1CCCC1.
What is the InChIKey of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone?
The InChIKey is GGPBCCRQROPFIM-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-11-15(20)9-10-21(13)19(22)14-7-8-17(18(12-14)23-2)24-16-5-3-4-6-16/h7-8,12-13,15-16H,3-6,9-11,20H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone?
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 124686970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).