(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone

C13H23N3O — CID 57463734

IUPAC(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C13H23N3O/c17-13(11-4-5-14-10-11)16-8-6-15(7-9-16)12-2-1-3-12/h11-12,14H,1-10H2/t11-/m1/s1
InChIKeySAHSDNAJOZLPGR-LLVKDONJSA-N
MW237.35 g/mol
LogP0.29
Rot. Bonds2

About (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 57463734) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID57463734
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C13H23N3O/c17-13(11-4-5-14-10-11)16-8-6-15(7-9-16)12-2-1-3-12/h11-12,14H,1-10H2/t11-/m1/s1
InChIKeySAHSDNAJOZLPGR-LLVKDONJSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone (CID 57463734) is (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone is O=C([C@@H]1CCNC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is SAHSDNAJOZLPGR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(11-4-5-14-10-11)16-8-6-15(7-9-16)12-2-1-3-12/h11-12,14H,1-10H2/t11-/m1/s1.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 237.35 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 57463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).