N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C23H25ClN2O3 — CID 45203674

IUPACN-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H25ClN2O3/c24-19-6-1-4-17(14-19)18-5-2-7-20(15-18)25-22(27)16-9-11-26(12-10-16)23(28)21-8-3-13-29-21/h1-2,4-7,14-16,21H,3,8-13H2,(H,25,27)
InChIKeyOUYWLNZPILZRCD-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.36
Rot. Bonds4

About N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 45203674) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID45203674
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H25ClN2O3/c24-19-6-1-4-17(14-19)18-5-2-7-20(15-18)25-22(27)16-9-11-26(12-10-16)23(28)21-8-3-13-29-21/h1-2,4-7,14-16,21H,3,8-13H2,(H,25,27)
InChIKeyOUYWLNZPILZRCD-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871
N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005952
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 167937168
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide
CID 72882868
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157018089

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 45203674) is N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is OUYWLNZPILZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-19-6-1-4-17(14-19)18-5-2-7-20(15-18)25-22(27)16-9-11-26(12-10-16)23(28)21-8-3-13-29-21/h1-2,4-7,14-16,21H,3,8-13H2,(H,25,27).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 45203674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).