2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide

C17H25N3O2 — CID 56813373

IUPAC2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(17(18)22)20-11-9-15(10-12-20)19-16(21)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyGXPZKKQTIGSEIK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.07
Rot. Bonds6

About 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide

2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide (PubChem CID 56813373) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
PubChem CID56813373
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(17(18)22)20-11-9-15(10-12-20)19-16(21)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeyGXPZKKQTIGSEIK-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide
CID 55852028
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide (CID 56813373) is 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
The InChIKey is GXPZKKQTIGSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(17(18)22)20-11-9-15(10-12-20)19-16(21)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide?
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 56813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).