[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone

C24H30N2O2 — CID 87023404

IUPAC[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CN(Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-23-12-8-19(9-13-23)17-26(22-10-11-22)18-20-6-5-7-21(16-20)24(27)25-14-3-2-4-15-25/h5-9,12-13,16,22H,2-4,10-11,14-15,17-18H2,1H3
InChIKeyHJDZXVMYXQMLSE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.49
Rot. Bonds7

About [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 87023404) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID87023404
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(CN(Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-23-12-8-19(9-13-23)17-26(22-10-11-22)18-20-6-5-7-21(16-20)24(27)25-14-3-2-4-15-25/h5-9,12-13,16,22H,2-4,10-11,14-15,17-18H2,1H3
InChIKeyHJDZXVMYXQMLSE-UHFFFAOYSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
(4-methoxyphenyl)-[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25475118
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone (CID 87023404) is [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone is COc1ccc(CN(Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1.
What is the InChIKey of [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is HJDZXVMYXQMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23-12-8-19(9-13-23)17-26(22-10-11-22)18-20-6-5-7-21(16-20)24(27)25-14-3-2-4-15-25/h5-9,12-13,16,22H,2-4,10-11,14-15,17-18H2,1H3.
What are the key properties of [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 378.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 87023404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).