N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

C24H32N2O2 — CID 51361887

IUPACN-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O2/c1-2-3-14-25-24(27)22-12-15-26(16-13-22)18-21-10-7-11-23(17-21)28-19-20-8-5-4-6-9-20/h4-11,17,22H,2-3,12-16,18-19H2,1H3,(H,25,27)
InChIKeyWMZJNXQOEPAOTE-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.39
Rot. Bonds9

About N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 51361887) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID51361887
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C24H32N2O2/c1-2-3-14-25-24(27)22-12-15-26(16-13-22)18-21-10-7-11-23(17-21)28-19-20-8-5-4-6-9-20/h4-11,17,22H,2-3,12-16,18-19H2,1H3,(H,25,27)
InChIKeyWMZJNXQOEPAOTE-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3995388
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
N-benzyl-N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328501
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (CID 51361887) is N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WMZJNXQOEPAOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-3-14-25-24(27)22-12-15-26(16-13-22)18-21-10-7-11-23(17-21)28-19-20-8-5-4-6-9-20/h4-11,17,22H,2-3,12-16,18-19H2,1H3,(H,25,27).
What are the key properties of N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 51361887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).