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

C22H25N3O3 — CID 15999586

IUPACN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCO1
InChIInChI=1S/C22H25N3O3/c26-21(20-7-4-16-28-20)23-18-10-8-17(9-11-18)22(27)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,26)
InChIKeyYPCPXYTWUZMQSN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds4

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

N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 15999586) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID15999586
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCO1
InChIInChI=1S/C22H25N3O3/c26-21(20-7-4-16-28-20)23-18-10-8-17(9-11-18)22(27)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,26)
InChIKeyYPCPXYTWUZMQSN-UHFFFAOYSA-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

(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-phenyloxolane-2-carboxamide
CID 3453643
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 112984476
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide (CID 15999586) is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is YPCPXYTWUZMQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(20-7-4-16-28-20)23-18-10-8-17(9-11-18)22(27)25-14-12-24(13-15-25)19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,26).
What are the key properties of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide?
N-[4-(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 N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 15999586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).