2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide

C24H29N3O2 — CID 46037750

IUPAC2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-16-25-24(29)21-10-6-7-11-22(21)27-17-14-20(15-18-27)26-23(28)13-12-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2,(H,25,29)(H,26,28)
InChIKeySOYOTIZSVBGCKN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.32
Rot. Bonds8

About 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide

2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide (PubChem CID 46037750) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
PubChem CID46037750
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c1-2-16-25-24(29)21-10-6-7-11-22(21)27-17-14-20(15-18-27)26-23(28)13-12-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2,(H,25,29)(H,26,28)
InChIKeySOYOTIZSVBGCKN-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide (CID 46037750) is 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide?
The InChIKey is SOYOTIZSVBGCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-16-25-24(29)21-10-6-7-11-22(21)27-17-14-20(15-18-27)26-23(28)13-12-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2,(H,25,29)(H,26,28).
What are the key properties of 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide?
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide has a molecular weight of 391.52 g/mol, XLogP of 3.32, 8 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]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46037750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).