[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

C26H34N4O4 — CID 87609015

IUPAC[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=CCC1CCN(c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C26H34N4O4/c31-14-11-18-9-12-30(13-10-18)24-15-22(21-3-1-2-4-23(21)29-24)25(32)27-16-19-5-7-20(8-6-19)17-28-26(33)34/h1-4,14-15,18-20,28H,5-13,16-17H2,(H,27,32)(H,33,34)
InChIKeyGTSZACWMOGPZQM-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.84
Rot. Bonds8

About [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 87609015) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID87609015
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=CCC1CCN(c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C26H34N4O4/c31-14-11-18-9-12-30(13-10-18)24-15-22(21-3-1-2-4-23(21)29-24)25(32)27-16-19-5-7-20(8-6-19)17-28-26(33)34/h1-4,14-15,18-20,28H,5-13,16-17H2,(H,27,32)(H,33,34)
InChIKeyGTSZACWMOGPZQM-UHFFFAOYSA-N
XLogP3.84
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid with MolForge

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Related Compounds

tert-butyl N-[[4-[[[2-[4-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 56679719
N-(cyclohexylmethyl)-2-[4-[2-(2-fluoroethylamino)ethyl]piperidin-1-yl]quinoline-4-carboxamide
CID 89126049
tert-butyl N-[[4-[[[2-[4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 86637050
tert-butyl N-[[4-[[[2-[4-[2-(3-hydroxyazetidin-1-yl)ethyl]piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl]carbamate
CID 56669554
[4-[[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl N-(2,2-dimethylpropyl)carbamate
CID 90732148
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
tert-butyl N-[[4-[2-[[2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]quinoline-4-carbonyl]amino]ethyl]cyclohexyl]methyl]carbamate
CID 143826002
[4-[[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methyl N-(oxan-4-yl)carbamate
CID 91143194
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide
CID 70991134
4-[[2-(4-hydroxypiperidin-1-yl)quinoline-4-carbonyl]amino]-3,5-dimethylbenzoic acid
CID 86707366

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid (CID 87609015) is [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is O=CCC1CCN(c2cc(C(=O)NCC3CCC(CNC(=O)O)CC3)c3ccccc3n2)CC1.
What is the InChIKey of [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is GTSZACWMOGPZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c31-14-11-18-9-12-30(13-10-18)24-15-22(21-3-1-2-4-23(21)29-24)25(32)27-16-19-5-7-20(8-6-19)17-28-26(33)34/h1-4,14-15,18-20,28H,5-13,16-17H2,(H,27,32)(H,33,34).
What are the key properties of [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 466.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-[4-(2-oxoethyl)piperidin-1-yl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 87609015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).