N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide

C32H40N4O2 — CID 71768841

IUPACN-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide
SMILESCCNC(=O)CC1CCC(NC(=O)C2CCN(c3nc4ccc(C)cc4cc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C32H40N4O2/c1-3-33-30(37)20-23-10-12-27(13-11-23)34-32(38)25-15-17-36(18-16-25)31-28(24-7-5-4-6-8-24)21-26-19-22(2)9-14-29(26)35-31/h4-9,14,19,21,23,25,27H,3,10-13,15-18,20H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyNSZRHWDKCIGBHW-UHFFFAOYSA-N
MW512.70 g/mol
LogP5.63
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide

N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide (PubChem CID 71768841) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide
PubChem CID71768841
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide
SMILESCCNC(=O)CC1CCC(NC(=O)C2CCN(c3nc4ccc(C)cc4cc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C32H40N4O2/c1-3-33-30(37)20-23-10-12-27(13-11-23)34-32(38)25-15-17-36(18-16-25)31-28(24-7-5-4-6-8-24)21-26-19-22(2)9-14-29(26)35-31/h4-9,14,19,21,23,25,27H,3,10-13,15-18,20H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyNSZRHWDKCIGBHW-UHFFFAOYSA-N
XLogP5.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide (CID 71768841) is N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide is CCNC(=O)CC1CCC(NC(=O)C2CCN(c3nc4ccc(C)cc4cc3-c3ccccc3)CC2)CC1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide?
The InChIKey is NSZRHWDKCIGBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O2/c1-3-33-30(37)20-23-10-12-27(13-11-23)34-32(38)25-15-17-36(18-16-25)31-28(24-7-5-4-6-8-24)21-26-19-22(2)9-14-29(26)35-31/h4-9,14,19,21,23,25,27H,3,10-13,15-18,20H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide has a molecular weight of 512.70 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethyl]cyclohexyl]-1-(6-methyl-3-phenylquinolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).