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

C19H30ClN3O2 — CID 120590622

IUPAC2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(C)CC(=O)N1CCC(NC(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(23)22-11-9-16(10-12-22)21-18(24)19(3,20)15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H
InChIKeyTXDRDKYAAOBZBN-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.44
Rot. Bonds5

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

2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride (PubChem CID 120590622) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
PubChem CID120590622
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC(C)CC(=O)N1CCC(NC(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(23)22-11-9-16(10-12-22)21-18(24)19(3,20)15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H
InChIKeyTXDRDKYAAOBZBN-UHFFFAOYSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
CID 120587710
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylpropanamide
CID 62487733
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride (CID 120590622) is 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride is CC(C)CC(=O)N1CCC(NC(=O)C(C)(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride?
The InChIKey is TXDRDKYAAOBZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)13-17(23)22-11-9-16(10-12-22)21-18(24)19(3,20)15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H.
What are the key properties of 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).