N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide

C19H24N4O3 — CID 155871687

IUPACN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCC3CC3)(n3ccnc3)C2)o1
InChIInChI=1S/C19H24N4O3/c1-14-3-6-16(26-14)17(24)22-9-2-7-19(12-22,23-10-8-20-13-23)18(25)21-11-15-4-5-15/h3,6,8,10,13,15H,2,4-5,7,9,11-12H2,1H3,(H,21,25)
InChIKeyZJRAVRIPZHOLMA-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.94
Rot. Bonds5

About N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide (PubChem CID 155871687) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
PubChem CID155871687
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCC3CC3)(n3ccnc3)C2)o1
InChIInChI=1S/C19H24N4O3/c1-14-3-6-16(26-14)17(24)22-9-2-7-19(12-22,23-10-8-20-13-23)18(25)21-11-15-4-5-15/h3,6,8,10,13,15H,2,4-5,7,9,11-12H2,1H3,(H,21,25)
InChIKeyZJRAVRIPZHOLMA-UHFFFAOYSA-N
XLogP1.94
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
CID 155878922
3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
(5R)-9-(5-methylfuran-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371973
(5-methylfuran-2-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477842
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 97379498
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(5-methylfuran-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155871829
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
N-[2-[(3aR,7aS)-5-(5-methylfuran-2-carbonyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124795944
[3-(2-chloroethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 55186498
[(4aS,8aS)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 97379658

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide (CID 155871687) is N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCC3CC3)(n3ccnc3)C2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZJRAVRIPZHOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-3-6-16(26-14)17(24)22-9-2-7-19(12-22,23-10-8-20-13-23)18(25)21-11-15-4-5-15/h3,6,8,10,13,15H,2,4-5,7,9,11-12H2,1H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-imidazol-1-yl-1-(5-methylfuran-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 155871687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).