N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide

C17H20ClN3O2 — CID 17126963

IUPACN-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H20ClN3O2/c1-13-2-7-16(23-13)12-20-8-10-21(11-9-20)17(22)19-15-5-3-14(18)4-6-15/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyYWGOEWUSZDISJS-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.59
Rot. Bonds3

About N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 17126963) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
PubChem CID17126963
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C17H20ClN3O2/c1-13-2-7-16(23-13)12-20-8-10-21(11-9-20)17(22)19-15-5-3-14(18)4-6-15/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyYWGOEWUSZDISJS-UHFFFAOYSA-N
XLogP3.59
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(4-chlorophenyl)-4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831155
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide (CID 17126963) is N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is YWGOEWUSZDISJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-13-2-7-16(23-13)12-20-8-10-21(11-9-20)17(22)19-15-5-3-14(18)4-6-15/h2-7H,8-12H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17126963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).