N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C18H31N3O2 — CID 120556975

IUPACN-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C18H31N3O2/c1-13-12-19-9-8-16(13)20-17(22)14-6-2-3-7-15(14)18(23)21-10-4-5-11-21/h13-16,19H,2-12H2,1H3,(H,20,22)
InChIKeySJLBJBXOEBONAZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.53
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 120556975) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID120556975
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C18H31N3O2/c1-13-12-19-9-8-16(13)20-17(22)14-6-2-3-7-15(14)18(23)21-10-4-5-11-21/h13-16,19H,2-12H2,1H3,(H,20,22)
InChIKeySJLBJBXOEBONAZ-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119451771
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
methane;(3-methylpiperidin-4-yl)-piperidin-1-ylmethanone;molecular hydrogen;hydrochloride
CID 143614635
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
N-(3-methylpiperidin-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 120556652
N-(3-methylpiperidin-4-yl)oxane-4-carboxamide
CID 79886712
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
cis-(1S,2R)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623329
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)-N-(thian-4-yl)cyclohexane-1-carboxamide
CID 95623326
4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120555118

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 120556975) is N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CNCCC1NC(=O)C1CCCCC1C(=O)N1CCCC1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is SJLBJBXOEBONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13-12-19-9-8-16(13)20-17(22)14-6-2-3-7-15(14)18(23)21-10-4-5-11-21/h13-16,19H,2-12H2,1H3,(H,20,22).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120556975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).