(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide

C17H27N3O — CID 66638181

IUPAC(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
SMILESN[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H27N3O/c18-16(10-7-13-20-11-5-2-6-12-20)17(21)19-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,18H2,(H,19,21)/t16-/m0/s1
InChIKeyXRNIDBFKYNXBFM-INIZCTEOSA-N
MW289.42 g/mol
LogP1.90
Rot. Bonds7

About (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide

(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide (PubChem CID 66638181) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
PubChem CID66638181
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide
SMILESN[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H27N3O/c18-16(10-7-13-20-11-5-2-6-12-20)17(21)19-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,18H2,(H,19,21)/t16-/m0/s1
InChIKeyXRNIDBFKYNXBFM-INIZCTEOSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
2-amino-N-benzylpentanamide
CID 11020044
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
4-[(2-aminopentanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119881963
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
CID 70111942
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119835745
2-amino-5-piperidin-1-ylpentanamide
CID 89453537
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide (CID 66638181) is (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide is N[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide?
The InChIKey is XRNIDBFKYNXBFM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16(10-7-13-20-11-5-2-6-12-20)17(21)19-14-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,18H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide?
(2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 66638181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).