(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone

C16H31N3O — CID 60952931

IUPAC(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)14-8-12-19(13-9-14)15(20)16(17)10-6-5-7-11-16/h14H,3-13,17H2,1-2H3
InChIKeyKSPILRHLXSQOMN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.98
Rot. Bonds4

About (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone

(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 60952931) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID60952931
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)14-8-12-19(13-9-14)15(20)16(17)10-6-5-7-11-16/h14H,3-13,17H2,1-2H3
InChIKeyKSPILRHLXSQOMN-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexanecarboxamide
CID 845135
1-(Formyl-isopropyl-amino)-cyclohexanecarboxylic acid cyclohexylamide
CID 651913
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
2-Cyclohexylamino-1-piperidin-1-yl-propan-1-one
CID 10376940
2-Amino-2-cyclohexyl-1-piperidin-1-yl-ethanone
CID 44364133
1-amino-N,N-dimethylcyclohexane-1-carboxamide
CID 24701890
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 60952931) is (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is KSPILRHLXSQOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(4-2)14-8-12-19(13-9-14)15(20)16(17)10-6-5-7-11-16/h14H,3-13,17H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 281.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60952931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).