3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide

C24H31N3O2 — CID 119950959

IUPAC3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CC(N)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-15-13-20(14-16-27)26-23(28)17-22(25)19-11-7-4-8-12-19/h3-12,20-22H,2,13-17,25H2,1H3,(H,26,28)
InChIKeyIPBVMEWJVORJBI-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.38
Rot. Bonds7

About 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide

3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 119950959) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
PubChem CID119950959
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CC(N)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-15-13-20(14-16-27)26-23(28)17-22(25)19-11-7-4-8-12-19/h3-12,20-22H,2,13-17,25H2,1H3,(H,26,28)
InChIKeyIPBVMEWJVORJBI-UHFFFAOYSA-N
XLogP3.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide (CID 119950959) is 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide is CCC(C(=O)N1CCC(NC(=O)CC(N)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is IPBVMEWJVORJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-21(18-9-5-3-6-10-18)24(29)27-15-13-20(14-16-27)26-23(28)17-22(25)19-11-7-4-8-12-19/h3-12,20-22H,2,13-17,25H2,1H3,(H,26,28).
What are the key properties of 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide?
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 119950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).