[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone

C26H34N2O3 — CID 58556829

IUPAC[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(CN2CCC(N3CCC(C(=O)c4ccc(C)cc4)CC3)C(O)C2)cc1
InChIInChI=1S/C26H34N2O3/c1-19-3-7-21(8-4-19)26(30)22-11-15-28(16-12-22)24-13-14-27(18-25(24)29)17-20-5-9-23(31-2)10-6-20/h3-10,22,24-25,29H,11-18H2,1-2H3
InChIKeyNELMADKSJHBVNL-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.53
Rot. Bonds6

About [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 58556829) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID58556829
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(CN2CCC(N3CCC(C(=O)c4ccc(C)cc4)CC3)C(O)C2)cc1
InChIInChI=1S/C26H34N2O3/c1-19-3-7-21(8-4-19)26(30)22-11-15-28(16-12-22)24-13-14-27(18-25(24)29)17-20-5-9-23(31-2)10-6-20/h3-10,22,24-25,29H,11-18H2,1-2H3
InChIKeyNELMADKSJHBVNL-UHFFFAOYSA-N
XLogP3.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[1-[(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 53392165
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
[1-(3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 67993078
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498

Frequently Asked Questions

What is the IUPAC name of [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 58556829) is [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone is COc1ccc(CN2CCC(N3CCC(C(=O)c4ccc(C)cc4)CC3)C(O)C2)cc1.
What is the InChIKey of [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is NELMADKSJHBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-3-7-21(8-4-19)26(30)22-11-15-28(16-12-22)24-13-14-27(18-25(24)29)17-20-5-9-23(31-2)10-6-20/h3-10,22,24-25,29H,11-18H2,1-2H3.
What are the key properties of [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 422.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58556829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).