4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide

C22H28N4O2 — CID 127145528

IUPAC4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2cccc3cccnc23)CC1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c27-21(17-6-2-1-3-7-17)24-18-11-14-26(15-12-18)22(28)25-19-10-4-8-16-9-5-13-23-20(16)19/h4-5,8-10,13,17-18H,1-3,6-7,11-12,14-15H2,(H,24,27)(H,25,28)
InChIKeyWBEGIQJDERAFPY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.93
Rot. Bonds3

About 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide

4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide (PubChem CID 127145528) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
PubChem CID127145528
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2cccc3cccnc23)CC1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c27-21(17-6-2-1-3-7-17)24-18-11-14-26(15-12-18)22(28)25-19-10-4-8-16-9-5-13-23-20(16)19/h4-5,8-10,13,17-18H,1-3,6-7,11-12,14-15H2,(H,24,27)(H,25,28)
InChIKeyWBEGIQJDERAFPY-UHFFFAOYSA-N
XLogP3.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide (CID 127145528) is 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2cccc3cccnc23)CC1)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide?
The InChIKey is WBEGIQJDERAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(17-6-2-1-3-7-17)24-18-11-14-26(15-12-18)22(28)25-19-10-4-8-16-9-5-13-23-20(16)19/h4-5,8-10,13,17-18H,1-3,6-7,11-12,14-15H2,(H,24,27)(H,25,28).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide?
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide is sourced from PubChem (CID 127145528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).