[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid

C16H30N2O3 — CID 68702231

IUPAC[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
SMILESCCCOC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C16H30N2O3/c1-3-12-21-14-4-8-16(2,9-5-14)18-10-6-13(7-11-18)17-15(19)20/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyAFHWLYUMBJYPEE-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.85
Rot. Bonds5

About [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid

[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid (PubChem CID 68702231) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
PubChem CID68702231
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
SMILESCCCOC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1
InChIInChI=1S/C16H30N2O3/c1-3-12-21-14-4-8-16(2,9-5-14)18-10-6-13(7-11-18)17-15(19)20/h13-14,17H,3-12H2,1-2H3,(H,19,20)
InChIKeyAFHWLYUMBJYPEE-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
CID 66741936
2-[[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]amino]-4-methylsulfonylphenol
CID 59444154
3-[2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-4-methylphenyl]propanoic acid
CID 59444177
[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66741641
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
6-chloro-5-methyl-3-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 66740411
2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol
CID 59444092
4-propoxypiperidine-1-carbothioic S-acid
CID 169214588
[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid
CID 155351697
4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol
CID 91050021
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid (CID 68702231) is [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid is CCCOC1CCC(C)(N2CCC(NC(=O)O)CC2)CC1.
What is the InChIKey of [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The InChIKey is AFHWLYUMBJYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-12-21-14-4-8-16(2,9-5-14)18-10-6-13(7-11-18)17-15(19)20/h13-14,17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid has a molecular weight of 298.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68702231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).