N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide

C22H35N5O2S — CID 56514845

IUPACN-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)CC2)cs1
InChIInChI=1S/C22H35N5O2S/c1-17-23-20(16-30-17)15-25-9-7-18(8-10-25)21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h16,18-19H,2-15H2,1H3,(H,24,29)
InChIKeyAEFVHMMJXRSIBN-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.85
Rot. Bonds4

About N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide

N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide (PubChem CID 56514845) has the molecular formula C22H35N5O2S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
PubChem CID56514845
Molecular FormulaC22H35N5O2S
Molecular Weight433.62 g/mol
Exact Mass433.25
IUPAC NameN-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)CC2)cs1
InChIInChI=1S/C22H35N5O2S/c1-17-23-20(16-30-17)15-25-9-7-18(8-10-25)21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h16,18-19H,2-15H2,1H3,(H,24,29)
InChIKeyAEFVHMMJXRSIBN-UHFFFAOYSA-N
XLogP2.85
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 20754535
1-methyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 56812611
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
(1-benzoylpiperidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23823635
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119649633
N-(2-amino-1-cyclohexylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119589919
[2-(aminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119631993

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide (CID 56514845) is N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide is Cc1nc(CN2CCC(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)CC2)cs1.
What is the InChIKey of N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is AEFVHMMJXRSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2S/c1-17-23-20(16-30-17)15-25-9-7-18(8-10-25)21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h16,18-19H,2-15H2,1H3,(H,24,29).
What are the key properties of N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 433.62 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 56514845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).