N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide

C23H26ClN3O4 — CID 46104013

IUPACN-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H26ClN3O4/c24-19-6-8-20(9-7-19)31-16-21(28)27-14-10-18(11-15-27)23(30)26-13-12-25-22(29)17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,25,29)(H,26,30)
InChIKeyPBLVWMKMTRWUFC-UHFFFAOYSA-N
MW443.93 g/mol
LogP2.50
Rot. Bonds8

About N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide

N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 46104013) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
PubChem CID46104013
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC NameN-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H26ClN3O4/c24-19-6-8-20(9-7-19)31-16-21(28)27-14-10-18(11-15-27)23(30)26-13-12-25-22(29)17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,25,29)(H,26,30)
InChIKeyPBLVWMKMTRWUFC-UHFFFAOYSA-N
XLogP2.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
CID 134003439
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 42693238
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55634294
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide (CID 46104013) is N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide is O=C(NCCNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is PBLVWMKMTRWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c24-19-6-8-20(9-7-19)31-16-21(28)27-14-10-18(11-15-27)23(30)26-13-12-25-22(29)17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,25,29)(H,26,30).
What are the key properties of N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide?
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46104013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).