1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C21H28N4OS — CID 165418490

IUPAC1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1)N1CCCC1
InChIInChI=1S/C21H28N4OS/c1-16(24-11-5-6-12-24)19(26)25-13-9-21(10-14-25,17-7-3-2-4-8-17)18-15-27-20(22)23-18/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,22,23)
InChIKeyUJFGZBRTTLIPMA-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.12
Rot. Bonds4

About 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 165418490) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
PubChem CID165418490
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1)N1CCCC1
InChIInChI=1S/C21H28N4OS/c1-16(24-11-5-6-12-24)19(26)25-13-9-21(10-14-25,17-7-3-2-4-8-17)18-15-27-20(22)23-18/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,22,23)
InChIKeyUJFGZBRTTLIPMA-UHFFFAOYSA-N
XLogP3.12
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768
(2S)-2-amino-1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 165422793
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
CID 166599817

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 165418490) is 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1)N1CCCC1.
What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UJFGZBRTTLIPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-16(24-11-5-6-12-24)19(26)25-13-9-21(10-14-25,17-7-3-2-4-8-17)18-15-27-20(22)23-18/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,22,23).
What are the key properties of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 384.55 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 165418490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).