3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide

C18H29N3O — CID 119857622

IUPAC3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCN)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-2-12-21(18(22)10-11-19)17-9-6-13-20(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15,19H2,1H3
InChIKeyWKVNRVJRAFQVCY-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.24
Rot. Bonds7

About 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide

3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide (PubChem CID 119857622) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
PubChem CID119857622
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCN)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-2-12-21(18(22)10-11-19)17-9-6-13-20(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15,19H2,1H3
InChIKeyWKVNRVJRAFQVCY-UHFFFAOYSA-N
XLogP2.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
CID 95274228
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide (CID 119857622) is 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide is CCCN(C(=O)CCN)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide?
The InChIKey is WKVNRVJRAFQVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-12-21(18(22)10-11-19)17-9-6-13-20(15-17)14-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15,19H2,1H3.
What are the key properties of 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide?
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide is sourced from PubChem (CID 119857622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).