N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane

C22H37N3O — CID 143229407

IUPACN-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
SMILESCC.Cc1cccnc1N1CCCC(CCN(C=O)C2CCCCC2)C1
InChIInChI=1S/C20H31N3O.C2H6/c1-17-7-5-12-21-20(17)22-13-6-8-18(15-22)11-14-23(16-24)19-9-3-2-4-10-19;1-2/h5,7,12,16,18-19H,2-4,6,8-11,13-15H2,1H3;1-2H3
InChIKeyPTDZQOKTESGXOJ-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.81
Rot. Bonds6

About N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane

N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane (PubChem CID 143229407) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
PubChem CID143229407
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC NameN-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
SMILESCC.Cc1cccnc1N1CCCC(CCN(C=O)C2CCCCC2)C1
InChIInChI=1S/C20H31N3O.C2H6/c1-17-7-5-12-21-20(17)22-13-6-8-18(15-22)11-14-23(16-24)19-9-3-2-4-10-19;1-2/h5,7,12,16,18-19H,2-4,6,8-11,13-15H2,1H3;1-2H3
InChIKeyPTDZQOKTESGXOJ-UHFFFAOYSA-N
XLogP4.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
CID 143229805
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
CID 143229820

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane?
The IUPAC name of N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane (CID 143229407) is N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane.
What is the SMILES notation for N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane?
The canonical SMILES for N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane is CC.Cc1cccnc1N1CCCC(CCN(C=O)C2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane?
The InChIKey is PTDZQOKTESGXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.C2H6/c1-17-7-5-12-21-20(17)22-13-6-8-18(15-22)11-14-23(16-24)19-9-3-2-4-10-19;1-2/h5,7,12,16,18-19H,2-4,6,8-11,13-15H2,1H3;1-2H3.
What are the key properties of N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane?
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane has a molecular weight of 359.56 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane is sourced from PubChem (CID 143229407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).