N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide

C23H31N3O3 — CID 123362324

IUPACN-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc3cc(NC(=O)C4CCNCC4)ccc3o2)CC1
InChIInChI=1S/C23H31N3O3/c1-15-3-6-19(7-4-15)26(2)23(28)21-14-17-13-18(5-8-20(17)29-21)25-22(27)16-9-11-24-12-10-16/h5,8,13-16,19,24H,3-4,6-7,9-12H2,1-2H3,(H,25,27)
InChIKeyAKQZOVNMRONSLM-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.02
Rot. Bonds4

About N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide

N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide (PubChem CID 123362324) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide
PubChem CID123362324
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc3cc(NC(=O)C4CCNCC4)ccc3o2)CC1
InChIInChI=1S/C23H31N3O3/c1-15-3-6-19(7-4-15)26(2)23(28)21-14-17-13-18(5-8-20(17)29-21)25-22(27)16-9-11-24-12-10-16/h5,8,13-16,19,24H,3-4,6-7,9-12H2,1-2H3,(H,25,27)
InChIKeyAKQZOVNMRONSLM-UHFFFAOYSA-N
XLogP4.02
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-piperidin-4-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119441290
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 55028576
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide (CID 123362324) is N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide is CC1CCC(N(C)C(=O)c2cc3cc(NC(=O)C4CCNCC4)ccc3o2)CC1.
What is the InChIKey of N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide?
The InChIKey is AKQZOVNMRONSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-3-6-19(7-4-15)26(2)23(28)21-14-17-13-18(5-8-20(17)29-21)25-22(27)16-9-11-24-12-10-16/h5,8,13-16,19,24H,3-4,6-7,9-12H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide?
N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(4-methylcyclohexyl)carbamoyl]-1-benzofuran-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 123362324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).