pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone

C19H28N4O2S — CID 95551648

IUPACpyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(c1cscn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C19H28N4O2S/c24-18(21-7-1-2-8-21)15-4-3-9-23(12-15)16-5-10-22(11-6-16)19(25)17-13-26-14-20-17/h13-16H,1-12H2/t15-/m1/s1
InChIKeyOLFNZKWZUIKWEA-OAHLLOKOSA-N
MW376.53 g/mol
LogP2.08
Rot. Bonds3

About pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone

pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 95551648) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID95551648
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Namepyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(c1cscn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C19H28N4O2S/c24-18(21-7-1-2-8-21)15-4-3-9-23(12-15)16-5-10-22(11-6-16)19(25)17-13-26-14-20-17/h13-16H,1-12H2/t15-/m1/s1
InChIKeyOLFNZKWZUIKWEA-OAHLLOKOSA-N
XLogP2.08
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

N-cyclopropyl-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870819
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
[1-[1-(5-hydroxypyridine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56874083
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95212920

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 95551648) is pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C(c1cscn1)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is OLFNZKWZUIKWEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O2S/c24-18(21-7-1-2-8-21)15-4-3-9-23(12-15)16-5-10-22(11-6-16)19(25)17-13-26-14-20-17/h13-16H,1-12H2/t15-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone?
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 376.53 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 95551648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).