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

C18H33N3O — CID 120981287

IUPAC3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H33N3O/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
InChIKeyHRONUFIBHKEVMA-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.24
Rot. Bonds5

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

3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981287) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981287
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H33N3O/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
InChIKeyHRONUFIBHKEVMA-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.24
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;hydrochloride
CID 120981286
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
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
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-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
3-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981915
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981287) is 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCCC1CC1CCCCC1)N1CCNCC1.
What is the InChIKey of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is HRONUFIBHKEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/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.
What are the key properties of 3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 307.48 g/mol, XLogP of 2.24, 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 is sourced from PubChem (CID 120981287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).