N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C16H20ClN3O3 — CID 17297614

IUPACN-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-2,4-5,14H,3,6-11H2,(H,18,22)
InChIKeyRCMSYCNALTYCIV-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.20
Rot. Bonds2

About N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 17297614) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID17297614
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-2,4-5,14H,3,6-11H2,(H,18,22)
InChIKeyRCMSYCNALTYCIV-UHFFFAOYSA-N
XLogP2.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47033961
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 136577578
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 17297614) is N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is RCMSYCNALTYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-2,4-5,14H,3,6-11H2,(H,18,22).
What are the key properties of N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 17297614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).