(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone

C16H30N2O2 — CID 64554425

IUPAC(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-3-10-20-14-7-5-9-18(12-14)15(19)16(17)8-4-6-13(2)11-16/h13-14H,3-12,17H2,1-2H3
InChIKeySMHRPCMQYPCJRS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds4

About (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone

(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 64554425) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID64554425
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-3-10-20-14-7-5-9-18(12-14)15(19)16(17)8-4-6-13(2)11-16/h13-14H,3-12,17H2,1-2H3
InChIKeySMHRPCMQYPCJRS-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone (CID 64554425) is (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)C2(N)CCCC(C)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is SMHRPCMQYPCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-10-20-14-7-5-9-18(12-14)15(19)16(17)8-4-6-13(2)11-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone?
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 64554425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).