[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone

C15H29N3O2 — CID 119852056

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCC(CN(C)C)CC2)CCNCC1
InChIInChI=1S/C15H29N3O2/c1-17(2)12-13-4-10-18(11-5-13)14(19)15(20-3)6-8-16-9-7-15/h13,16H,4-12H2,1-3H3
InChIKeyZYBTXHHTZZTYNV-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.56
Rot. Bonds4

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone (PubChem CID 119852056) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
PubChem CID119852056
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCC(CN(C)C)CC2)CCNCC1
InChIInChI=1S/C15H29N3O2/c1-17(2)12-13-4-10-18(11-5-13)14(19)15(20-3)6-8-16-9-7-15/h13,16H,4-12H2,1-3H3
InChIKeyZYBTXHHTZZTYNV-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
N-(cyclobutylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119770688
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
N-(cyclopentylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119759240

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone (CID 119852056) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCC(CN(C)C)CC2)CCNCC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is ZYBTXHHTZZTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17(2)12-13-4-10-18(11-5-13)14(19)15(20-3)6-8-16-9-7-15/h13,16H,4-12H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 283.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 119852056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).