N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

C33H40N4O2 — CID 46209040

IUPACN-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)c(CN(CCN2CCCCC2c2cc3ccccc3[nH]2)C(=O)C2CCCCC2)cc2ccccc21
InChIInChI=1S/C33H40N4O2/c1-35-30-16-8-6-14-26(30)21-27(32(35)38)23-37(33(39)24-11-3-2-4-12-24)20-19-36-18-10-9-17-31(36)29-22-25-13-5-7-15-28(25)34-29/h5-8,13-16,21-22,24,31,34H,2-4,9-12,17-20,23H2,1H3
InChIKeyUMECRJLSNYOQBW-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.16
Rot. Bonds7

About N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 46209040) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
PubChem CID46209040
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC NameN-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)c(CN(CCN2CCCCC2c2cc3ccccc3[nH]2)C(=O)C2CCCCC2)cc2ccccc21
InChIInChI=1S/C33H40N4O2/c1-35-30-16-8-6-14-26(30)21-27(32(35)38)23-37(33(39)24-11-3-2-4-12-24)20-19-36-18-10-9-17-31(36)29-22-25-13-5-7-15-28(25)34-29/h5-8,13-16,21-22,24,31,34H,2-4,9-12,17-20,23H2,1H3
InChIKeyUMECRJLSNYOQBW-UHFFFAOYSA-N
XLogP6.16
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide (CID 46209040) is N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide is Cn1c(=O)c(CN(CCN2CCCCC2c2cc3ccccc3[nH]2)C(=O)C2CCCCC2)cc2ccccc21.
What is the InChIKey of N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is UMECRJLSNYOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-35-30-16-8-6-14-26(30)21-27(32(35)38)23-37(33(39)24-11-3-2-4-12-24)20-19-36-18-10-9-17-31(36)29-22-25-13-5-7-15-28(25)34-29/h5-8,13-16,21-22,24,31,34H,2-4,9-12,17-20,23H2,1H3.
What are the key properties of N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 524.71 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-2-yl)piperidin-1-yl]ethyl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 46209040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).