2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide

C18H29N3O — CID 66565227

IUPAC2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CCCN(Cc2ccccc2)C1)C(=O)CN
InChIInChI=1S/C18H29N3O/c1-15(2)21(18(22)11-19)14-17-9-6-10-20(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3
InChIKeyRPNBHAUHIRUVMU-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.09
Rot. Bonds6

About 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide

2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 66565227) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
PubChem CID66565227
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CCCN(Cc2ccccc2)C1)C(=O)CN
InChIInChI=1S/C18H29N3O/c1-15(2)21(18(22)11-19)14-17-9-6-10-20(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3
InChIKeyRPNBHAUHIRUVMU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
benzyl (3S)-3-[[(2-chloroacetyl)-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 96552575
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
benzyl (2R)-2-[[(2-aminoacetyl)-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 96552631
2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553388

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide (CID 66565227) is 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(CC1CCCN(Cc2ccccc2)C1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is RPNBHAUHIRUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)21(18(22)11-19)14-17-9-6-10-20(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3.
What are the key properties of 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide?
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 303.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66565227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).