N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H28N2O3 — CID 113004142

IUPACN-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-24(18-19-8-4-2-5-9-19)23(27)20-12-15-25(16-13-20)22(26)14-17-28-21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3
InChIKeyKCDZTYISNDWARP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds7

About N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 113004142) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID113004142
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-24(18-19-8-4-2-5-9-19)23(27)20-12-15-25(16-13-20)22(26)14-17-28-21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3
InChIKeyKCDZTYISNDWARP-UHFFFAOYSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 113004142) is N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is KCDZTYISNDWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24(18-19-8-4-2-5-9-19)23(27)20-12-15-25(16-13-20)22(26)14-17-28-21-10-6-3-7-11-21/h2-11,20H,12-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).