N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide

C21H22ClN3O4 — CID 68972565

IUPACN-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-14(26)23-17-6-2-15(3-7-17)20(27)24-21(28)25-12-10-19(11-13-25)29-18-8-4-16(22)5-9-18/h2-9,19H,10-13H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyPDAQKGMZRCVCFJ-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.69
Rot. Bonds4

About N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide

N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide (PubChem CID 68972565) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
PubChem CID68972565
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-14(26)23-17-6-2-15(3-7-17)20(27)24-21(28)25-12-10-19(11-13-25)29-18-8-4-16(22)5-9-18/h2-9,19H,10-13H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyPDAQKGMZRCVCFJ-UHFFFAOYSA-N
XLogP3.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-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

N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
N-[4-[1-(3,5-dinitrobenzoyl)piperidin-4-yl]oxyphenyl]acetamide;methane
CID 159792863
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide (CID 68972565) is N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide is CC(=O)Nc1ccc(C(=O)NC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide?
The InChIKey is PDAQKGMZRCVCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-14(26)23-17-6-2-15(3-7-17)20(27)24-21(28)25-12-10-19(11-13-25)29-18-8-4-16(22)5-9-18/h2-9,19H,10-13H2,1H3,(H,23,26)(H,24,27,28).
What are the key properties of N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide?
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 68972565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).