(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone

C18H33N3O — CID 119930695

IUPAC(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-15-4-12-21(13-5-15)18(22)17-6-10-20(11-7-17)14-16-2-8-19-9-3-16/h15-17,19H,2-14H2,1H3
InChIKeyRDGRGONEPNIISX-UHFFFAOYSA-N
MW307.48 g/mol
LogP1.96
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone (PubChem CID 119930695) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
PubChem CID119930695
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C18H33N3O/c1-15-4-12-21(13-5-15)18(22)17-6-10-20(11-7-17)14-16-2-8-19-9-3-16/h15-17,19H,2-14H2,1H3
InChIKeyRDGRGONEPNIISX-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 172604358
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
CID 174287018

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone (CID 119930695) is (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(CC3CCNCC3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is RDGRGONEPNIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-15-4-12-21(13-5-15)18(22)17-6-10-20(11-7-17)14-16-2-8-19-9-3-16/h15-17,19H,2-14H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 119930695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).