(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide

C22H25N3O3 — CID 27151651

IUPAC(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c26-21(20-11-6-16-28-20)23-19-10-5-4-9-18(19)22(27)25-14-12-24(13-15-25)17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,23,26)/t20-/m0/s1
InChIKeyKAKYLUFIDAHFNU-FQEVSTJZSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds4

About (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide

(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 27151651) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID27151651
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O3/c26-21(20-11-6-16-28-20)23-19-10-5-4-9-18(19)22(27)25-14-12-24(13-15-25)17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,23,26)/t20-/m0/s1
InChIKeyKAKYLUFIDAHFNU-FQEVSTJZSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 27161050
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
trans-(1S,2S)-2-[[2-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 981916
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (CID 27151651) is (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is KAKYLUFIDAHFNU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(20-11-6-16-28-20)23-19-10-5-4-9-18(19)22(27)25-14-12-24(13-15-25)17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 27151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).