N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane

C25H37N3O — CID 143229721

IUPACN-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
SMILESCC.O=CN(CCC1CCCN(c2ccc3ccccc3n2)C1)C1CCCCC1
InChIInChI=1S/C23H31N3O.C2H6/c27-18-26(21-9-2-1-3-10-21)16-14-19-7-6-15-25(17-19)23-13-12-20-8-4-5-11-22(20)24-23;1-2/h4-5,8,11-13,18-19,21H,1-3,6-7,9-10,14-17H2;1-2H3
InChIKeyNLRSFPVIODNWON-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.66
Rot. Bonds6

About N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane

N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane (PubChem CID 143229721) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
PubChem CID143229721
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
SMILESCC.O=CN(CCC1CCCN(c2ccc3ccccc3n2)C1)C1CCCCC1
InChIInChI=1S/C23H31N3O.C2H6/c27-18-26(21-9-2-1-3-10-21)16-14-19-7-6-15-25(17-19)23-13-12-20-8-4-5-11-22(20)24-23;1-2/h4-5,8,11-13,18-19,21H,1-3,6-7,9-10,14-17H2;1-2H3
InChIKeyNLRSFPVIODNWON-UHFFFAOYSA-N
XLogP5.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane?
The IUPAC name of N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane (CID 143229721) is N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane.
What is the SMILES notation for N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane?
The canonical SMILES for N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane is CC.O=CN(CCC1CCCN(c2ccc3ccccc3n2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane?
The InChIKey is NLRSFPVIODNWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.C2H6/c27-18-26(21-9-2-1-3-10-21)16-14-19-7-6-15-25(17-19)23-13-12-20-8-4-5-11-22(20)24-23;1-2/h4-5,8,11-13,18-19,21H,1-3,6-7,9-10,14-17H2;1-2H3.
What are the key properties of N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane?
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane has a molecular weight of 395.59 g/mol, XLogP of 5.66, 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-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane is sourced from PubChem (CID 143229721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).