(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C19H30N4O3S — CID 95555709

IUPAC(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3scnc3C)CC2)C1
InChIInChI=1S/C19H30N4O3S/c1-14-17(27-13-21-14)19(25)22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)20-7-11-26-2/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyFANTUROZWWBYNG-HNNXBMFYSA-N
MW394.54 g/mol
LogP1.53
Rot. Bonds6

About (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95555709) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95555709
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3scnc3C)CC2)C1
InChIInChI=1S/C19H30N4O3S/c1-14-17(27-13-21-14)19(25)22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)20-7-11-26-2/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyFANTUROZWWBYNG-HNNXBMFYSA-N
XLogP1.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.53
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

(3S)-N-(2-methoxyethyl)-1-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95558051
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868672
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548945
(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95455972
(3S)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95552974
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
(3S)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553575
N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873787
(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553576
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95555709) is (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)[C@H]1CCCN(C2CCN(C(=O)c3scnc3C)CC2)C1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is FANTUROZWWBYNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-14-17(27-13-21-14)19(25)22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)20-7-11-26-2/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95555709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).