pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone

C18H27N5O2S — CID 72906587

IUPACpyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1)N1CCCC1
InChIInChI=1S/C18H27N5O2S/c24-16(21-4-1-2-5-21)14-11-15(13-19-12-14)17(25)22-6-8-23(9-7-22)18-20-3-10-26-18/h3,10,14-15,19H,1-2,4-9,11-13H2/t14-,15+/m0/s1
InChIKeyUAPXCYZAAPTADQ-LSDHHAIUSA-N
MW377.51 g/mol
LogP0.64
Rot. Bonds3

About pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone

pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone (PubChem CID 72906587) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone
PubChem CID72906587
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Namepyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1)N1CCCC1
InChIInChI=1S/C18H27N5O2S/c24-16(21-4-1-2-5-21)14-11-15(13-19-12-14)17(25)22-6-8-23(9-7-22)18-20-3-10-26-18/h3,10,14-15,19H,1-2,4-9,11-13H2/t14-,15+/m0/s1
InChIKeyUAPXCYZAAPTADQ-LSDHHAIUSA-N
XLogP0.64
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276
(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 168679296
6-isopropyl-2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 168679298
1-((2S)-pyrrolidine-2-carbonyl)-4-(1,3-thiazol-2-yl)piperazine dihydrochloride
CID 71756998
1-[3-(1,3-Thiazol-2-ylcarbamoylamino)propyl]piperidine-4-carboxamide
CID 56796137
(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
CID 11912450
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(1,3-thiazol-2-yl)-3-piperidinecarboxamide
CID 53010404
1-Cyclopentyl-5-{[4-(1,3-thiazol-2-yl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 72883016
N1-cyclopropyl-N3-(thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 47307512
[2-(1-Methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
CID 53575254
N-cyclopropyl-N-[4-(4-propylpiperazin-1-yl)pentyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72114439

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone (CID 72906587) is pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone is O=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3nccs3)CC2)C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone?
The InChIKey is UAPXCYZAAPTADQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27N5O2S/c24-16(21-4-1-2-5-21)14-11-15(13-19-12-14)17(25)22-6-8-23(9-7-22)18-20-3-10-26-18/h3,10,14-15,19H,1-2,4-9,11-13H2/t14-,15+/m0/s1.
What are the key properties of pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone?
pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone has a molecular weight of 377.51 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(3S,5R)-5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 72906587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).