N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

C26H28N4O5 — CID 42678369

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCCC2)c1)c1ccco1
InChIInChI=1S/C26H28N4O5/c31-24(22-6-4-16-34-22)27-19-8-9-21(20(18-19)25(32)29-10-2-1-3-11-29)28-12-14-30(15-13-28)26(33)23-7-5-17-35-23/h4-9,16-18H,1-3,10-15H2,(H,27,31)
InChIKeyTVBNDCDADAVYSV-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 42678369) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID42678369
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCCC2)c1)c1ccco1
InChIInChI=1S/C26H28N4O5/c31-24(22-6-4-16-34-22)27-19-8-9-21(20(18-19)25(32)29-10-2-1-3-11-29)28-12-14-30(15-13-28)26(33)23-7-5-17-35-23/h4-9,16-18H,1-3,10-15H2,(H,27,31)
InChIKeyTVBNDCDADAVYSV-UHFFFAOYSA-N
XLogP3.71
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-tert-butyl-4-[4-(furan-2-carbonylamino)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 42678931
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42671907
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671914
N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 42678329
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide (CID 42678369) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCCC2)c1)c1ccco1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is TVBNDCDADAVYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c31-24(22-6-4-16-34-22)27-19-8-9-21(20(18-19)25(32)29-10-2-1-3-11-29)28-12-14-30(15-13-28)26(33)23-7-5-17-35-23/h4-9,16-18H,1-3,10-15H2,(H,27,31).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42678369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).