N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide

C20H24N4O4 — CID 113120600

IUPACN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccncc1
InChIInChI=1S/C20H24N4O4/c1-16(25)24(15-17-4-7-21-8-5-17)9-6-19(26)22-10-12-23(13-11-22)20(27)18-3-2-14-28-18/h2-5,7-8,14H,6,9-13,15H2,1H3
InChIKeyPYQIKXBOSBAONP-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.40
Rot. Bonds6

About N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113120600) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113120600
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccncc1
InChIInChI=1S/C20H24N4O4/c1-16(25)24(15-17-4-7-21-8-5-17)9-6-19(26)22-10-12-23(13-11-22)20(27)18-3-2-14-28-18/h2-5,7-8,14H,6,9-13,15H2,1H3
InChIKeyPYQIKXBOSBAONP-UHFFFAOYSA-N
XLogP1.40
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114982
N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120598
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)acetamide
CID 113129105
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161616
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
CID 113166520
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113120600) is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccncc1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PYQIKXBOSBAONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-16(25)24(15-17-4-7-21-8-5-17)9-6-19(26)22-10-12-23(13-11-22)20(27)18-3-2-14-28-18/h2-5,7-8,14H,6,9-13,15H2,1H3.
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113120600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).