N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C22H27ClN2O2 — CID 22322270

IUPACN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCNC(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-5-3-16(4-6-19)21(26)17-7-10-25(11-8-17)12-9-24-22(27)20-14-15-1-2-18(20)13-15/h1-6,15,17-18,20H,7-14H2,(H,24,27)
InChIKeyNNTVHXHZODJAQQ-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 22322270) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID22322270
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCNC(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C22H27ClN2O2/c23-19-5-3-16(4-6-19)21(26)17-7-10-25(11-8-17)12-9-24-22(27)20-14-15-1-2-18(20)13-15/h1-6,15,17-18,20H,7-14H2,(H,24,27)
InChIKeyNNTVHXHZODJAQQ-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231
N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600247
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-4-nitrobenzamide
CID 22322246
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
(4-chlorophenyl)-[1-[2-[(4-nitrophenyl)methylamino]ethyl]piperidin-4-yl]methanone
CID 22322316
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 46972616
1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine
CID 139798430
2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15105360
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 22322270) is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(c1ccc(Cl)cc1)C1CCN(CCNC(=O)C2CC3C=CC2C3)CC1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is NNTVHXHZODJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-19-5-3-16(4-6-19)21(26)17-7-10-25(11-8-17)12-9-24-22(27)20-14-15-1-2-18(20)13-15/h1-6,15,17-18,20H,7-14H2,(H,24,27).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 22322270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).