(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide

C19H29N3O2 — CID 119307382

IUPAC(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)21-19(24)17(20)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,20H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYJIKFPFWCUPBOT-KRWDZBQOSA-N
MW331.46 g/mol
LogP1.71
Rot. Bonds6

About (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide

(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 119307382) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID119307382
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)21-19(24)17(20)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,20H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYJIKFPFWCUPBOT-KRWDZBQOSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.71
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
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide (CID 119307382) is (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide is CC(C)CC(=O)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is YJIKFPFWCUPBOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-18(23)22-10-8-16(9-11-22)21-19(24)17(20)13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13,20H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 1.71, 6 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-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 119307382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).