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

C22H24ClN3O3 — CID 46559932

IUPACN-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1)C1CCCO1
InChIInChI=1S/C22H24ClN3O3/c23-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)16-5-3-6-17(15-16)24-21(27)20-9-4-14-29-20/h1-3,5-8,15,20H,4,9-14H2,(H,24,27)
InChIKeyKCHAATNSPNBJBZ-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.42
Rot. Bonds4

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

N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 46559932) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID46559932
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1)C1CCCO1
InChIInChI=1S/C22H24ClN3O3/c23-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)16-5-3-6-17(15-16)24-21(27)20-9-4-14-29-20/h1-3,5-8,15,20H,4,9-14H2,(H,24,27)
InChIKeyKCHAATNSPNBJBZ-UHFFFAOYSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542414
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 46559932) is N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1)C1CCCO1.
What is the InChIKey of N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KCHAATNSPNBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)16-5-3-6-17(15-16)24-21(27)20-9-4-14-29-20/h1-3,5-8,15,20H,4,9-14H2,(H,24,27).
What are the key properties of N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46559932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).