N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide

C21H31N3O2 — CID 112502775

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1)C1CCCO1
InChIInChI=1S/C21H31N3O2/c25-21(20-7-4-16-26-20)22-17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h8-11,18,20H,1-7,12-16H2,(H,22,25)
InChIKeyNCIOLJCBAFFDQA-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide (PubChem CID 112502775) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
PubChem CID112502775
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1)C1CCCO1
InChIInChI=1S/C21H31N3O2/c25-21(20-7-4-16-26-20)22-17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h8-11,18,20H,1-7,12-16H2,(H,22,25)
InChIKeyNCIOLJCBAFFDQA-UHFFFAOYSA-N
XLogP3.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 112984476
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide (CID 112502775) is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is NCIOLJCBAFFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(20-7-4-16-26-20)22-17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h8-11,18,20H,1-7,12-16H2,(H,22,25).
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide?
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112502775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).