N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide

C21H26ClN3O3 — CID 1030415

IUPACN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(CCC(=O)N1CCN(c2ccccc2Cl)CC1)C(=O)c1ccoc1
InChIInChI=1S/C21H26ClN3O3/c1-16(2)25(21(27)17-8-14-28-15-17)9-7-20(26)24-12-10-23(11-13-24)19-6-4-3-5-18(19)22/h3-6,8,14-16H,7,9-13H2,1-2H3
InChIKeyUUZRFWOJCJSWQD-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.52
Rot. Bonds6

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

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide (PubChem CID 1030415) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide
PubChem CID1030415
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(CCC(=O)N1CCN(c2ccccc2Cl)CC1)C(=O)c1ccoc1
InChIInChI=1S/C21H26ClN3O3/c1-16(2)25(21(27)17-8-14-28-15-17)9-7-20(26)24-12-10-23(11-13-24)19-6-4-3-5-18(19)22/h3-6,8,14-16H,7,9-13H2,1-2H3
InChIKeyUUZRFWOJCJSWQD-UHFFFAOYSA-N
XLogP3.52
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)butane-1,4-dione
CID 56560282
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-cyclopropyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 814973
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide (CID 1030415) is N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide is CC(C)N(CCC(=O)N1CCN(c2ccccc2Cl)CC1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is UUZRFWOJCJSWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-16(2)25(21(27)17-8-14-28-15-17)9-7-20(26)24-12-10-23(11-13-24)19-6-4-3-5-18(19)22/h3-6,8,14-16H,7,9-13H2,1-2H3.
What are the key properties of N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide?
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 1030415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).