N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide

C17H18ClN3O3 — CID 75370481

IUPACN-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12-6-11-24-15(12)16(22)20-7-9-21(10-8-20)17(23)19-14-4-2-13(18)3-5-14/h2-6,11H,7-10H2,1H3,(H,19,23)
InChIKeySQPZLJOJABOEGR-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.23
Rot. Bonds2

About N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide (PubChem CID 75370481) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
PubChem CID75370481
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12-6-11-24-15(12)16(22)20-7-9-21(10-8-20)17(23)19-14-4-2-13(18)3-5-14/h2-6,11H,7-10H2,1H3,(H,19,23)
InChIKeySQPZLJOJABOEGR-UHFFFAOYSA-N
XLogP3.23
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 51292568
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
CID 110812798
N-(3-chloro-4-fluorophenyl)-3-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]propanamide
CID 42360371
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
N-(4-chlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419056
N-(4-chlorophenyl)-4-(2,2-difluoroacetyl)-1,4-diazepane-1-carboxamide
CID 99841434
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide (CID 75370481) is N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide is Cc1ccoc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is SQPZLJOJABOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-6-11-24-15(12)16(22)20-7-9-21(10-8-20)17(23)19-14-4-2-13(18)3-5-14/h2-6,11H,7-10H2,1H3,(H,19,23).
What are the key properties of N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-methylfuran-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 75370481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).