N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C27H27N3O4 — CID 166364664

IUPACN-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)C2)cc1
InChIInChI=1S/C27H27N3O4/c1-18-7-9-19(10-8-18)27(33)30-15-3-5-21(17-30)26(32)29-22-11-13-23(14-12-22)34-24-6-2-4-20(16-24)25(28)31/h2,4,6-14,16,21H,3,5,15,17H2,1H3,(H2,28,31)(H,29,32)
InChIKeyKXSJYBMHCRXZBJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.38
Rot. Bonds6

About N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 166364664) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID166364664
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)C2)cc1
InChIInChI=1S/C27H27N3O4/c1-18-7-9-19(10-8-18)27(33)30-15-3-5-21(17-30)26(32)29-22-11-13-23(14-12-22)34-24-6-2-4-20(16-24)25(28)31/h2,4,6-14,16,21H,3,5,15,17H2,1H3,(H2,28,31)(H,29,32)
InChIKeyKXSJYBMHCRXZBJ-UHFFFAOYSA-N
XLogP4.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 166364664) is N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)C2)cc1.
What is the InChIKey of N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is KXSJYBMHCRXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-18-7-9-19(10-8-18)27(33)30-15-3-5-21(17-30)26(32)29-22-11-13-23(14-12-22)34-24-6-2-4-20(16-24)25(28)31/h2,4,6-14,16,21H,3,5,15,17H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 166364664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).