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

C20H34N4O2S — CID 95560997

IUPAC(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cs1
InChIInChI=1S/C20H34N4O2S/c1-3-19-22-17(15-27-19)14-23-10-6-18(7-11-23)24-9-4-5-16(13-24)20(25)21-8-12-26-2/h15-16,18H,3-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyWLZVVJSMPYKUNG-MRXNPFEDSA-N
MW394.59 g/mol
LogP2.14
Rot. Bonds8

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

(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 95560997) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID95560997
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cs1
InChIInChI=1S/C20H34N4O2S/c1-3-19-22-17(15-27-19)14-23-10-6-18(7-11-23)24-9-4-5-16(13-24)20(25)21-8-12-26-2/h15-16,18H,3-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyWLZVVJSMPYKUNG-MRXNPFEDSA-N
XLogP2.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.14
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)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95560996
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95222683
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56745532
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3S)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202896
(3R)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202895
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 95560997) is (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is CCc1nc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cs1.
What is the InChIKey of (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is WLZVVJSMPYKUNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-3-19-22-17(15-27-19)14-23-10-6-18(7-11-23)24-9-4-5-16(13-24)20(25)21-8-12-26-2/h15-16,18H,3-14H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 394.59 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95560997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).