N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide

C22H31N3O2S — CID 171915975

IUPACN,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3scnc3C)c2)C1
InChIInChI=1S/C22H31N3O2S/c1-4-25(5-2)22(26)19-9-7-11-24(14-19)13-18-8-6-10-20(12-18)27-15-21-17(3)23-16-28-21/h6,8,10,12,16,19H,4-5,7,9,11,13-15H2,1-3H3
InChIKeyKLLUDSPGFHLQRS-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.11
Rot. Bonds8

About N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide

N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 171915975) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide
PubChem CID171915975
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3scnc3C)c2)C1
InChIInChI=1S/C22H31N3O2S/c1-4-25(5-2)22(26)19-9-7-11-24(14-19)13-18-8-6-10-20(12-18)27-15-21-17(3)23-16-28-21/h6,8,10,12,16,19H,4-5,7,9,11,13-15H2,1-3H3
InChIKeyKLLUDSPGFHLQRS-UHFFFAOYSA-N
XLogP4.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 171912345
N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide
CID 171911041
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide (CID 171915975) is N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3scnc3C)c2)C1.
What is the InChIKey of N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KLLUDSPGFHLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-4-25(5-2)22(26)19-9-7-11-24(14-19)13-18-8-6-10-20(12-18)27-15-21-17(3)23-16-28-21/h6,8,10,12,16,19H,4-5,7,9,11,13-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 401.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 171915975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).