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

C18H30N4O2S — CID 95486432

IUPAC(3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(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)/t15-/m1/s1
InChIKeyUJZDSNHPWNEYPA-OAHLLOKOSA-N
MW366.53 g/mol
LogP1.58
Rot. Bonds7

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

(3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95486432) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95486432
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name(3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(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)/t15-/m1/s1
InChIKeyUJZDSNHPWNEYPA-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95486432) is (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UJZDSNHPWNEYPA-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-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 (3R)-N-(2-methoxyethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95486432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).