[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

C24H32N2O3 — CID 99798871

IUPAC[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCOc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1OC(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)29-22-13-8-19(15-23(22)28-4)16-25-21-11-9-20(10-12-21)24(27)26-14-6-5-7-18(26)3/h8-13,15,17-18,25H,5-7,14,16H2,1-4H3/t18-/m0/s1
InChIKeyFNEKAHLHJMSJAS-SFHVURJKSA-N
MW396.53 g/mol
LogP5.11
Rot. Bonds7

About [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 99798871) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID99798871
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCOc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1OC(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)29-22-13-8-19(15-23(22)28-4)16-25-21-11-9-20(10-12-21)24(27)26-14-6-5-7-18(26)3/h8-13,15,17-18,25H,5-7,14,16H2,1-4H3/t18-/m0/s1
InChIKeyFNEKAHLHJMSJAS-SFHVURJKSA-N
XLogP5.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenol
CID 43742604
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
CID 7298536
1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 99798871) is [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1OC(C)C.
What is the InChIKey of [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is FNEKAHLHJMSJAS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)29-22-13-8-19(15-23(22)28-4)16-25-21-11-9-20(10-12-21)24(27)26-14-6-5-7-18(26)3/h8-13,15,17-18,25H,5-7,14,16H2,1-4H3/t18-/m0/s1.
What are the key properties of [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 396.53 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 99798871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).