(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone

C16H30N2O3 — CID 119780028

IUPAC(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(OC)CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-3-13-21-14-5-4-11-18(12-6-14)15(19)16(20-2)7-9-17-10-8-16/h14,17H,3-13H2,1-2H3
InChIKeyMHZCMYINIPSDRD-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds5

About (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone

(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone (PubChem CID 119780028) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
PubChem CID119780028
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)C2(OC)CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-3-13-21-14-5-4-11-18(12-6-14)15(19)16(20-2)7-9-17-10-8-16/h14,17H,3-13H2,1-2H3
InChIKeyMHZCMYINIPSDRD-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119321499
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone?
The IUPAC name of (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone (CID 119780028) is (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone?
The canonical SMILES for (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone is CCCOC1CCCN(C(=O)C2(OC)CCNCC2)CC1.
What is the InChIKey of (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone?
The InChIKey is MHZCMYINIPSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-13-21-14-5-4-11-18(12-6-14)15(19)16(20-2)7-9-17-10-8-16/h14,17H,3-13H2,1-2H3.
What are the key properties of (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone?
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone is sourced from PubChem (CID 119780028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).