1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide

C29H35N3O2 — CID 146308638

IUPAC1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide
SMILESCNCCC(Oc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H35N3O2/c1-30-19-16-27(24-12-6-3-7-13-24)34-28-15-9-8-14-26(28)31-29(33)25-17-20-32(21-18-25)22-23-10-4-2-5-11-23/h2-15,25,27,30H,16-22H2,1H3,(H,31,33)
InChIKeyRZJXLOJBNFAPIC-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.27
Rot. Bonds10

About 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide

1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide (PubChem CID 146308638) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide
PubChem CID146308638
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide
SMILESCNCCC(Oc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H35N3O2/c1-30-19-16-27(24-12-6-3-7-13-24)34-28-15-9-8-14-26(28)31-29(33)25-17-20-32(21-18-25)22-23-10-4-2-5-11-23/h2-15,25,27,30H,16-22H2,1H3,(H,31,33)
InChIKeyRZJXLOJBNFAPIC-UHFFFAOYSA-N
XLogP5.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[2-[(1-methylpiperidine-4-carbonyl)amino]phenoxy]-3-phenylpropyl]carbamate
CID 146308663
1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
CID 138738122
[3-[2-[(1-benzylpiperidin-4-yl)methylamino]phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 146308622
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
3-(1-benzylpiperidin-4-yl)-1-[4-[3-(methylamino)-1-[4-(trifluoromethyl)phenyl]propoxy]phenyl]propan-1-one
CID 139836307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide (CID 146308638) is 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide is CNCCC(Oc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is RZJXLOJBNFAPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-30-19-16-27(24-12-6-3-7-13-24)34-28-15-9-8-14-26(28)31-29(33)25-17-20-32(21-18-25)22-23-10-4-2-5-11-23/h2-15,25,27,30H,16-22H2,1H3,(H,31,33).
What are the key properties of 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide?
1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 146308638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).