N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C19H33N3O2 — CID 91921356

IUPACN-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3(C)CCCCC3)C2)CC1
InChIInChI=1S/C19H33N3O2/c1-19(9-4-3-5-10-19)17(23)22-13-8-16(14-22)15-6-11-21(12-7-15)18(24)20-2/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyCVWAGXZUKGLZCY-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.86
Rot. Bonds2

About N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921356) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921356
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3(C)CCCCC3)C2)CC1
InChIInChI=1S/C19H33N3O2/c1-19(9-4-3-5-10-19)17(23)22-13-8-16(14-22)15-6-11-21(12-7-15)18(24)20-2/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyCVWAGXZUKGLZCY-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921356) is N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)C3(C)CCCCC3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is CVWAGXZUKGLZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-19(9-4-3-5-10-19)17(23)22-13-8-16(14-22)15-6-11-21(12-7-15)18(24)20-2/h15-16H,3-14H2,1-2H3,(H,20,24).
What are the key properties of N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).