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

C16H25N3OS — CID 56812929

IUPAC1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H25N3OS/c17-15(20)12-6-8-19(9-7-12)10-14-11-21-16(18-14)13-4-2-1-3-5-13/h11-13H,1-10H2,(H2,17,20)
InChIKeyNYXZXBPVNMJKKK-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.89
Rot. Bonds4

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

1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56812929) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56812929
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H25N3OS/c17-15(20)12-6-8-19(9-7-12)10-14-11-21-16(18-14)13-4-2-1-3-5-13/h11-13H,1-10H2,(H2,17,20)
InChIKeyNYXZXBPVNMJKKK-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95343641
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899813
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
(2R)-N-cyclopropyl-2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129490200

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56812929) is 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is NYXZXBPVNMJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c17-15(20)12-6-8-19(9-7-12)10-14-11-21-16(18-14)13-4-2-1-3-5-13/h11-13H,1-10H2,(H2,17,20).
What are the key properties of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56812929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).