N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide

C20H30N2O2 — CID 51093701

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-4-18(16-8-6-5-7-9-16)20(24)21-17-10-12-22(13-11-17)19(23)14-15(2)3/h5-9,15,17-18H,4,10-14H2,1-3H3,(H,21,24)
InChIKeyDBKSUQARAKBXEZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.33
Rot. Bonds6

About N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide (PubChem CID 51093701) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
PubChem CID51093701
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-4-18(16-8-6-5-7-9-16)20(24)21-17-10-12-22(13-11-17)19(23)14-15(2)3/h5-9,15,17-18H,4,10-14H2,1-3H3,(H,21,24)
InChIKeyDBKSUQARAKBXEZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
N-cycloheptyl-2-phenylbutanamide
CID 2890971
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
CID 91064573
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide (CID 51093701) is N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide is CCC(C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide?
The InChIKey is DBKSUQARAKBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-18(16-8-6-5-7-9-16)20(24)21-17-10-12-22(13-11-17)19(23)14-15(2)3/h5-9,15,17-18H,4,10-14H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide has a molecular weight of 330.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 51093701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).