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

C20H31N3O2 — CID 119755729

IUPAC3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)13-18(24)23-11-9-17(10-12-23)22-20(25)15(3)19(21)16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13,21H2,1-3H3,(H,22,25)
InChIKeyCFWBBDCVXOBFKB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.48
Rot. Bonds6

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

3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 119755729) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID119755729
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)13-18(24)23-11-9-17(10-12-23)22-20(25)15(3)19(21)16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13,21H2,1-3H3,(H,22,25)
InChIKeyCFWBBDCVXOBFKB-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
CID 120590622
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide (CID 119755729) is 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide is CC(C)CC(=O)N1CCC(NC(=O)C(C)C(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is CFWBBDCVXOBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)13-18(24)23-11-9-17(10-12-23)22-20(25)15(3)19(21)16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13,21H2,1-3H3,(H,22,25).
What are the key properties of 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide?
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 119755729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).