N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide

C18H27N3O2 — CID 119103247

IUPACN,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)21-12-10-16(11-13-21)14-19-17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22)
InChIKeyFGWCSWCUARNVMU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.13
Rot. Bonds5

About N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 119103247) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID119103247
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)21-12-10-16(11-13-21)14-19-17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22)
InChIKeyFGWCSWCUARNVMU-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
tert-butyl N-[2-oxo-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916489
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 121020466
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide (CID 119103247) is N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is FGWCSWCUARNVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)18(23)21-12-10-16(11-13-21)14-19-17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,22).
What are the key properties of N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 119103247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).