N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C18H22N4O3 — CID 131918980

IUPACN-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCCC(NC(=O)C2(Cn3ccnc3)CC2)C1
InChIInChI=1S/C18H22N4O3/c23-16(15-4-2-10-25-15)22-8-1-3-14(11-22)20-17(24)18(5-6-18)12-21-9-7-19-13-21/h2,4,7,9-10,13-14H,1,3,5-6,8,11-12H2,(H,20,24)
InChIKeyDLUOPMACMIFQBA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 131918980) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID131918980
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(c1ccco1)N1CCCC(NC(=O)C2(Cn3ccnc3)CC2)C1
InChIInChI=1S/C18H22N4O3/c23-16(15-4-2-10-25-15)22-8-1-3-14(11-22)20-17(24)18(5-6-18)12-21-9-7-19-13-21/h2,4,7,9-10,13-14H,1,3,5-6,8,11-12H2,(H,20,24)
InChIKeyDLUOPMACMIFQBA-UHFFFAOYSA-N
XLogP1.68
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 95228253
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
4-(furan-2-carbonyl)-N-(2-imidazol-1-ylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111166861
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95221445
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131942294
N-[1-(furan-2-carbonyl)piperidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 91829889
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 131918980) is N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is O=C(c1ccco1)N1CCCC(NC(=O)C2(Cn3ccnc3)CC2)C1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is DLUOPMACMIFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16(15-4-2-10-25-15)22-8-1-3-14(11-22)20-17(24)18(5-6-18)12-21-9-7-19-13-21/h2,4,7,9-10,13-14H,1,3,5-6,8,11-12H2,(H,20,24).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131918980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).