[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C17H27ClN4OS — CID 120836180

IUPAC[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN(Cc2scnc2C2CC2)C1)N1CCNCC1
InChIInChI=1S/C17H26N4OS.ClH/c22-17(21-8-5-18-6-9-21)14-2-1-7-20(10-14)11-15-16(13-3-4-13)19-12-23-15;/h12-14,18H,1-11H2;1H
InChIKeyREUKOGXKGHTKCN-UHFFFAOYSA-N
MW370.95 g/mol
LogP2.09
Rot. Bonds4

About [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 120836180) has the molecular formula C17H27ClN4OS and a molecular weight of 370.95 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID120836180
Molecular FormulaC17H27ClN4OS
Molecular Weight370.95 g/mol
Exact Mass370.16
IUPAC Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN(Cc2scnc2C2CC2)C1)N1CCNCC1
InChIInChI=1S/C17H26N4OS.ClH/c22-17(21-8-5-18-6-9-21)14-2-1-7-20(10-14)11-15-16(13-3-4-13)19-12-23-15;/h12-14,18H,1-11H2;1H
InChIKeyREUKOGXKGHTKCN-UHFFFAOYSA-N
XLogP2.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 120846033
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836097
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 166267914
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 120836180) is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(C1CCCN(Cc2scnc2C2CC2)C1)N1CCNCC1.
What is the InChIKey of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is REUKOGXKGHTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS.ClH/c22-17(21-8-5-18-6-9-21)14-2-1-7-20(10-14)11-15-16(13-3-4-13)19-12-23-15;/h12-14,18H,1-11H2;1H.
What are the key properties of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 370.95 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120836180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).