3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride

C25H36Cl2N4O2 — CID 69143063

IUPAC3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc2c(Cl)c[nH]c2c1.Cl
InChIInChI=1S/C25H35ClN4O2.ClH/c1-3-10-30(25(32)20-4-5-21-22(26)16-27-23(21)15-20)17-24(31)29-13-8-19(9-14-29)18-6-11-28(2)12-7-18;/h4-5,15-16,18-19,27H,3,6-14,17H2,1-2H3;1H
InChIKeyOMCMIVOJXHBSIU-UHFFFAOYSA-N
MW495.50 g/mol
LogP4.68
Rot. Bonds6

About 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride

3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride (PubChem CID 69143063) has the molecular formula C25H36Cl2N4O2 and a molecular weight of 495.50 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
PubChem CID69143063
Molecular FormulaC25H36Cl2N4O2
Molecular Weight495.50 g/mol
Exact Mass494.22
IUPAC Name3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
SMILESCCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc2c(Cl)c[nH]c2c1.Cl
InChIInChI=1S/C25H35ClN4O2.ClH/c1-3-10-30(25(32)20-4-5-21-22(26)16-27-23(21)15-20)17-24(31)29-13-8-19(9-14-29)18-6-11-28(2)12-7-18;/h4-5,15-16,18-19,27H,3,6-14,17H2,1-2H3;1H
InChIKeyOMCMIVOJXHBSIU-UHFFFAOYSA-N
XLogP4.68
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride?
The IUPAC name of 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride (CID 69143063) is 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride is CCCN(CC(=O)N1CCC(C2CCN(C)CC2)CC1)C(=O)c1ccc2c(Cl)c[nH]c2c1.Cl.
What is the InChIKey of 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride?
The InChIKey is OMCMIVOJXHBSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O2.ClH/c1-3-10-30(25(32)20-4-5-21-22(26)16-27-23(21)15-20)17-24(31)29-13-8-19(9-14-29)18-6-11-28(2)12-7-18;/h4-5,15-16,18-19,27H,3,6-14,17H2,1-2H3;1H.
What are the key properties of 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride?
3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride has a molecular weight of 495.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride is sourced from PubChem (CID 69143063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).