2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide

C17H25N3O — CID 66565237

IUPAC2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
SMILESNCC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1
InChIKeyNPGBTYVYFSQFSI-INIZCTEOSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide

2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide (PubChem CID 66565237) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
PubChem CID66565237
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
SMILESNCC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H25N3O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1
InChIKeyNPGBTYVYFSQFSI-INIZCTEOSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide (CID 66565237) is 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide is NCC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide?
The InChIKey is NPGBTYVYFSQFSI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O/c18-11-17(21)20(15-8-9-15)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide?
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide has a molecular weight of 287.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 66565237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).