(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone

C26H34N2O2 — CID 40640492

IUPAC(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C26H34N2O2/c1-30-25-11-5-9-23(18-25)19-27-14-6-10-24(20-27)26(29)28-15-12-22(13-16-28)17-21-7-3-2-4-8-21/h2-5,7-9,11,18,22,24H,6,10,12-17,19-20H2,1H3/t24-/m1/s1
InChIKeySBJJZCTXAHQMMQ-XMMPIXPASA-N
MW406.57 g/mol
LogP4.39
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 40640492) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID40640492
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C26H34N2O2/c1-30-25-11-5-9-23(18-25)19-27-14-6-10-24(20-27)26(29)28-15-12-22(13-16-28)17-21-7-3-2-4-8-21/h2-5,7-9,11,18,22,24H,6,10,12-17,19-20H2,1H3/t24-/m1/s1
InChIKeySBJJZCTXAHQMMQ-XMMPIXPASA-N
XLogP4.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
(4-benzylpiperidin-1-yl)-[(3R)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]methanone
CID 7344095

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone (CID 40640492) is (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone is COc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is SBJJZCTXAHQMMQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N2O2/c1-30-25-11-5-9-23(18-25)19-27-14-6-10-24(20-27)26(29)28-15-12-22(13-16-28)17-21-7-3-2-4-8-21/h2-5,7-9,11,18,22,24H,6,10,12-17,19-20H2,1H3/t24-/m1/s1.
What are the key properties of (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 406.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 40640492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).