[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone

C23H30N2O2 — CID 95127122

IUPAC[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(C[C@H](C)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-17-7-9-20(10-8-17)23(26)25-13-11-21(12-14-25)24-18(2)15-19-5-4-6-22(16-19)27-3/h4-10,16,18,21,24H,11-15H2,1-3H3/t18-/m0/s1
InChIKeyLOHIYEHYFHYSMT-SFHVURJKSA-N
MW366.51 g/mol
LogP3.83
Rot. Bonds6

About [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone

[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 95127122) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID95127122
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(C[C@H](C)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-17-7-9-20(10-8-17)23(26)25-13-11-21(12-14-25)24-18(2)15-19-5-4-6-22(16-19)27-3/h4-10,16,18,21,24H,11-15H2,1-3H3/t18-/m0/s1
InChIKeyLOHIYEHYFHYSMT-SFHVURJKSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
[4-(1-tert-butylsulfanylpropan-2-ylamino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 75427884
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone (CID 95127122) is [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone is COc1cccc(C[C@H](C)NC2CCN(C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is LOHIYEHYFHYSMT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-7-9-20(10-8-17)23(26)25-13-11-21(12-14-25)24-18(2)15-19-5-4-6-22(16-19)27-3/h4-10,16,18,21,24H,11-15H2,1-3H3/t18-/m0/s1.
What are the key properties of [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 95127122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).