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

C22H25ClN4O2 — CID 46156249

IUPAC2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-2-12-24-21(28)19-8-3-4-9-20(19)27-13-10-17(11-14-27)25-22(29)26-18-7-5-6-16(23)15-18/h2-9,15,17H,1,10-14H2,(H,24,28)(H2,25,26,29)
InChIKeyBYBNUARGRBZVDZ-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.05
Rot. Bonds6

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

2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide (PubChem CID 46156249) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
PubChem CID46156249
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-2-12-24-21(28)19-8-3-4-9-20(19)27-13-10-17(11-14-27)25-22(29)26-18-7-5-6-16(23)15-18/h2-9,15,17H,1,10-14H2,(H,24,28)(H2,25,26,29)
InChIKeyBYBNUARGRBZVDZ-UHFFFAOYSA-N
XLogP4.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
CID 46038618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide (CID 46156249) is 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide?
The InChIKey is BYBNUARGRBZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-2-12-24-21(28)19-8-3-4-9-20(19)27-13-10-17(11-14-27)25-22(29)26-18-7-5-6-16(23)15-18/h2-9,15,17H,1,10-14H2,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide?
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46156249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).