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

C17H27N3O2S — CID 97276822

IUPAC(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-7-15-19-12(3)14(23-15)10-18-17(22)13-8-6-9-20(11-13)16(21)5-2/h13H,4-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyPFACKOQVOHFYHS-CYBMUJFWSA-N
MW337.49 g/mol
LogP2.67
Rot. Bonds6

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

(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 97276822) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID97276822
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-7-15-19-12(3)14(23-15)10-18-17(22)13-8-6-9-20(11-13)16(21)5-2/h13H,4-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyPFACKOQVOHFYHS-CYBMUJFWSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276336
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(9S)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125447573
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 97276822) is (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide is CCCc1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)s1.
What is the InChIKey of (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is PFACKOQVOHFYHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-7-15-19-12(3)14(23-15)10-18-17(22)13-8-6-9-20(11-13)16(21)5-2/h13H,4-11H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 97276822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).