4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide

C18H29N3O — CID 120565396

IUPAC4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(19)8-9-18(22)20(2)17-10-12-21(13-11-17)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,19H2,1-2H3
InChIKeyGELMJEGNGCQZCO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide

4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide (PubChem CID 120565396) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
PubChem CID120565396
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-15(19)8-9-18(22)20(2)17-10-12-21(13-11-17)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,19H2,1-2H3
InChIKeyGELMJEGNGCQZCO-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 60605546
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
2-amino-N-[(3S)-1-benzylpyrrolidin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 121226093
3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
CID 118755533
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide (CID 120565396) is 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide is CC(N)CCC(=O)N(C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide?
The InChIKey is GELMJEGNGCQZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(19)8-9-18(22)20(2)17-10-12-21(13-11-17)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14,19H2,1-2H3.
What are the key properties of 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide?
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide has a molecular weight of 303.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide is sourced from PubChem (CID 120565396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).