[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C16H30N4O — CID 166945999

IUPAC[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCNC1CC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H30N4O/c1-17-14-11-13(12-14)16(21)20-9-7-19(8-10-20)15-3-5-18(2)6-4-15/h13-15,17H,3-12H2,1-2H3
InChIKeyDDRLVKIJZXBGBO-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.22
Rot. Bonds3

About [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 166945999) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID166945999
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCNC1CC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H30N4O/c1-17-14-11-13(12-14)16(21)20-9-7-19(8-10-20)15-3-5-18(2)6-4-15/h13-15,17H,3-12H2,1-2H3
InChIKeyDDRLVKIJZXBGBO-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
CID 169029207
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592
(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91040267
[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 140515949

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 166945999) is [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CNC1CC(C(=O)N2CCN(C3CCN(C)CC3)CC2)C1.
What is the InChIKey of [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is DDRLVKIJZXBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-17-14-11-13(12-14)16(21)20-9-7-19(8-10-20)15-3-5-18(2)6-4-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166945999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).