N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide

C25H26N4O5 — CID 1030422

IUPACN-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C25H26N4O5/c30-23(9-13-28(16-20-4-3-14-34-20)24(31)18-10-15-33-17-18)27-11-7-19(8-12-27)29-22-6-2-1-5-21(22)26-25(29)32/h1-6,10,14-15,17,19H,7-9,11-13,16H2,(H,26,32)
InChIKeyVEKBESFKNZBYAZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.41
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide

N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide (PubChem CID 1030422) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide
PubChem CID1030422
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C25H26N4O5/c30-23(9-13-28(16-20-4-3-14-34-20)24(31)18-10-15-33-17-18)27-11-7-19(8-12-27)29-22-6-2-1-5-21(22)26-25(29)32/h1-6,10,14-15,17,19H,7-9,11-13,16H2,(H,26,32)
InChIKeyVEKBESFKNZBYAZ-UHFFFAOYSA-N
XLogP3.41
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779610
3-[1-[3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3264530
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]prop-2-enamide
CID 172967751
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
4-tert-butyl-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
CID 46656226
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
4-chloro-N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 17436936

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide (CID 1030422) is N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide is O=C(CCN(Cc1ccco1)C(=O)c1ccoc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide?
The InChIKey is VEKBESFKNZBYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c30-23(9-13-28(16-20-4-3-14-34-20)24(31)18-10-15-33-17-18)27-11-7-19(8-12-27)29-22-6-2-1-5-21(22)26-25(29)32/h1-6,10,14-15,17,19H,7-9,11-13,16H2,(H,26,32).
What are the key properties of N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide?
N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide is sourced from PubChem (CID 1030422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).