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

C18H30N4O2S — CID 56865403

IUPACN-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H30N4O2S/c1-24-11-6-20-18(23)15-3-2-8-22(13-15)16-4-9-21(10-5-16)14-17-19-7-12-25-17/h7,12,15-16H,2-6,8-11,13-14H2,1H3,(H,20,23)
InChIKeyUJZDSNHPWNEYPA-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.58
Rot. Bonds7

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

N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56865403) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56865403
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C18H30N4O2S/c1-24-11-6-20-18(23)15-3-2-8-22(13-15)16-4-9-21(10-5-16)14-17-19-7-12-25-17/h7,12,15-16H,2-6,8-11,13-14H2,1H3,(H,20,23)
InChIKeyUJZDSNHPWNEYPA-UHFFFAOYSA-N
XLogP1.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

US11179399, Example 39
CID 163200059
1-Morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
CID 71866169
1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
CID 96519867
(3R)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525577
Sdccgsbi-0117438.P001
CID 26412149
3-[2-(1,3-Thiazol-2-yl)morpholine-4-carbonyl]-6-(trifluoromethyl)piperidin-2-one
CID 127304234
2-(2-methylpropyl)-N'-[1-[4-(1,3-thiazol-2-yl)butanoyl]-4-(trifluoromethyl)piperidin-3-yl]propanediamide
CID 166335068
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 45193083
1'-(cyclopropylcarbonyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 56864888
N-cyclopropyl-1'-(1,3-thiazol-2-ylmethyl)-1,4'-bipiperidine-3-carboxamide
CID 56866421
N-(2-methoxyethyl)-2-(3-morpholinyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56892393
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56904905

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56865403) is N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UJZDSNHPWNEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-24-11-6-20-18(23)15-3-2-8-22(13-15)16-4-9-21(10-5-16)14-17-19-7-12-25-17/h7,12,15-16H,2-6,8-11,13-14H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56865403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).