N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

C26H25N7O5 — CID 1440115

IUPACN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1
InChIInChI=1S/C26H25N7O5/c1-37-21-10-6-19(7-11-21)25(35)27-20-8-4-18(5-9-20)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-3-2-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35)
InChIKeyRWXMNAXRYXFAAX-UHFFFAOYSA-N
MW515.53 g/mol
LogP2.18
Rot. Bonds7

About N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide

N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (PubChem CID 1440115) has the molecular formula C26H25N7O5 and a molecular weight of 515.53 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
PubChem CID1440115
Molecular FormulaC26H25N7O5
Molecular Weight515.53 g/mol
Exact Mass515.19
IUPAC NameN-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1
InChIInChI=1S/C26H25N7O5/c1-37-21-10-6-19(7-11-21)25(35)27-20-8-4-18(5-9-20)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-3-2-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35)
InChIKeyRWXMNAXRYXFAAX-UHFFFAOYSA-N
XLogP2.18
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide (CID 1440115) is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The InChIKey is RWXMNAXRYXFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O5/c1-37-21-10-6-19(7-11-21)25(35)27-20-8-4-18(5-9-20)24-28-30-33(29-24)17-23(34)31-12-14-32(15-13-31)26(36)22-3-2-16-38-22/h2-11,16H,12-15,17H2,1H3,(H,27,35).
What are the key properties of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide?
N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide has a molecular weight of 515.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1440115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).