(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C16H31N3O — CID 62783060

IUPAC(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCC1CCC(N)CC1C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-12-4-5-14(17)10-15(12)16(20)19-8-6-13(7-9-19)11-18(2)3/h12-15H,4-11,17H2,1-3H3
InChIKeyXVNGGMBOEBUHNZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds3

About (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 62783060) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID62783060
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCC1CCC(N)CC1C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-12-4-5-14(17)10-15(12)16(20)19-8-6-13(7-9-19)11-18(2)3/h12-15H,4-11,17H2,1-3H3
InChIKeyXVNGGMBOEBUHNZ-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 82237534
1-(5-amino-2-methylcyclohexanecarbonyl)piperidine-4-carboxamide
CID 62777378
(4-amino-2-methylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62782647
5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62781149
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
(5-amino-2-methylcyclohexyl)-(2-ethylpiperidin-1-yl)methanone
CID 55116507
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 62783060) is (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CC1CCC(N)CC1C(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is XVNGGMBOEBUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-4-5-14(17)10-15(12)16(20)19-8-6-13(7-9-19)11-18(2)3/h12-15H,4-11,17H2,1-3H3.
What are the key properties of (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 62783060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).