(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide

C16H25N3O2S — CID 97276336

IUPAC(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2sc(C)nc2CC)C1
InChIInChI=1S/C16H25N3O2S/c1-4-13-14(22-11(3)18-13)9-17-16(21)12-7-6-8-19(10-12)15(20)5-2/h12H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1
InChIKeyUVCUUHMNGXIKQM-GFCCVEGCSA-N
MW323.46 g/mol
LogP2.28
Rot. Bonds5

About (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide

(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 97276336) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID97276336
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2sc(C)nc2CC)C1
InChIInChI=1S/C16H25N3O2S/c1-4-13-14(22-11(3)18-13)9-17-16(21)12-7-6-8-19(10-12)15(20)5-2/h12H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1
InChIKeyUVCUUHMNGXIKQM-GFCCVEGCSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 97188840
(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
CID 155503945
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 97276336) is (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)NCc2sc(C)nc2CC)C1.
What is the InChIKey of (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is UVCUUHMNGXIKQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-13-14(22-11(3)18-13)9-17-16(21)12-7-6-8-19(10-12)15(20)5-2/h12H,4-10H2,1-3H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 97276336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).