N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide

C25H26ClN3O3 — CID 1030764

IUPACN-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1ccoc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H26ClN3O3/c26-22-8-4-5-9-23(22)27-13-15-28(16-14-27)24(30)10-12-29(18-20-6-2-1-3-7-20)25(31)21-11-17-32-19-21/h1-9,11,17,19H,10,12-16,18H2
InChIKeyOIJUYPIGTCBGJJ-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.31
Rot. Bonds7

About N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide

N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide (PubChem CID 1030764) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
PubChem CID1030764
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC NameN-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1ccoc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H26ClN3O3/c26-22-8-4-5-9-23(22)27-13-15-28(16-14-27)24(30)10-12-29(18-20-6-2-1-3-7-20)25(31)21-11-17-32-19-21/h1-9,11,17,19H,10,12-16,18H2
InChIKeyOIJUYPIGTCBGJJ-UHFFFAOYSA-N
XLogP4.31
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide
CID 1030415
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
CID 815108
N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
CID 7482407
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779610

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide (CID 1030764) is N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide is O=C(CCN(Cc1ccccc1)C(=O)c1ccoc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is OIJUYPIGTCBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c26-22-8-4-5-9-23(22)27-13-15-28(16-14-27)24(30)10-12-29(18-20-6-2-1-3-7-20)25(31)21-11-17-32-19-21/h1-9,11,17,19H,10,12-16,18H2.
What are the key properties of N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide?
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 451.95 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 1030764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).