(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide

C16H25N3O — CID 104983890

IUPAC(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
SMILESCN1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-19-11-9-14(10-12-19)18-16(20)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyYZMSOHQICDMXQW-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.16
Rot. Bonds5

About (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide (PubChem CID 104983890) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
PubChem CID104983890
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
SMILESCN1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-19-11-9-14(10-12-19)18-16(20)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyYZMSOHQICDMXQW-HNNXBMFYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
(2S)-2-amino-N-(1,1-dioxothian-3-yl)-4-phenylbutanamide
CID 104984424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide (CID 104983890) is (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide is CN1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide?
The InChIKey is YZMSOHQICDMXQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-11-9-14(10-12-19)18-16(20)15(17)8-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide has a molecular weight of 275.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 104983890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).