N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C22H34N4O2S — CID 86848972

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H34N4O2S/c1-16-15-29-22(23-16)26-11-7-17(8-12-26)20(27)24-19-9-13-25(14-10-19)21(28)18-5-3-2-4-6-18/h15,17-19H,2-14H2,1H3,(H,24,27)
InChIKeyYRDVRMHFHCGUQB-UHFFFAOYSA-N
MW418.61 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 86848972) has the molecular formula C22H34N4O2S and a molecular weight of 418.61 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID86848972
Molecular FormulaC22H34N4O2S
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H34N4O2S/c1-16-15-29-22(23-16)26-11-7-17(8-12-26)20(27)24-19-9-13-25(14-10-19)21(28)18-5-3-2-4-6-18/h15,17-19H,2-14H2,1H3,(H,24,27)
InChIKeyYRDVRMHFHCGUQB-UHFFFAOYSA-N
XLogP3.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
N-[2-(methylamino)propyl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 120828239
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
CID 171335280
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 86848972) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(N2CCC(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)CC2)n1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YRDVRMHFHCGUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2S/c1-16-15-29-22(23-16)26-11-7-17(8-12-26)20(27)24-19-9-13-25(14-10-19)21(28)18-5-3-2-4-6-18/h15,17-19H,2-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 418.61 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86848972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).