N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

C17H20ClN3O2 — CID 113106373

IUPACN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-15-5-3-14(4-6-15)12-19-17(22)21-9-7-20(8-10-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyZVLIIJJTXBWDGB-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.96
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113106373) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113106373
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-15-5-3-14(4-6-15)12-19-17(22)21-9-7-20(8-10-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyZVLIIJJTXBWDGB-UHFFFAOYSA-N
XLogP2.96
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
CID 87036773
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 31325262
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 113106373) is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZVLIIJJTXBWDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-15-5-3-14(4-6-15)12-19-17(22)21-9-7-20(8-10-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).