3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H34ClN3O — CID 120981286

IUPAC3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H33N3O.ClH/c22-18(21-13-9-19-10-14-21)8-12-20-11-4-7-17(20)15-16-5-2-1-3-6-16;/h16-17,19H,1-15H2;1H
InChIKeyYOCFBMMPXNLSLN-UHFFFAOYSA-N
MW343.94 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981286) has the molecular formula C18H34ClN3O and a molecular weight of 343.94 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981286
Molecular FormulaC18H34ClN3O
Molecular Weight343.94 g/mol
Exact Mass343.24
IUPAC Name3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H33N3O.ClH/c22-18(21-13-9-19-10-14-21)8-12-20-11-4-7-17(20)15-16-5-2-1-3-6-16;/h16-17,19H,1-15H2;1H
InChIKeyYOCFBMMPXNLSLN-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981287
1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120980816
1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
3-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981505
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981521
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-piperazin-1-yl-3-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120982605

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981286) is 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1.
What is the InChIKey of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is YOCFBMMPXNLSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O.ClH/c22-18(21-13-9-19-10-14-21)8-12-20-11-4-7-17(20)15-16-5-2-1-3-6-16;/h16-17,19H,1-15H2;1H.
What are the key properties of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 343.94 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).