1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one

C16H29N3O — CID 89340985

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC1CCN(CC)CC1
InChIInChI=1S/C16H29N3O/c1-4-18-10-8-14(9-11-18)12-19-13(2)6-5-7-15(17-3)16(19)20/h14-15,17H,2,4-12H2,1,3H3
InChIKeyRHYLGVRDVCVDMU-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.83
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one

1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one (PubChem CID 89340985) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one
PubChem CID89340985
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one
SMILESC=C1CCCC(NC)C(=O)N1CC1CCN(CC)CC1
InChIInChI=1S/C16H29N3O/c1-4-18-10-8-14(9-11-18)12-19-13(2)6-5-7-15(17-3)16(19)20/h14-15,17H,2,4-12H2,1,3H3
InChIKeyRHYLGVRDVCVDMU-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-7-methylidene-1-(thian-2-ylmethyl)azepan-2-one
CID 89268168
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
1-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20798925
1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
CID 115371072
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554755
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967600
1-ethyl-7-methyl-3-(methylamino)azepan-2-one
CID 22984860
5-[(1-ethylpiperidin-4-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108812
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20798915
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one (CID 89340985) is 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one is C=C1CCCC(NC)C(=O)N1CC1CCN(CC)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one?
The InChIKey is RHYLGVRDVCVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-18-10-8-14(9-11-18)12-19-13(2)6-5-7-15(17-3)16(19)20/h14-15,17H,2,4-12H2,1,3H3.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one?
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one has a molecular weight of 279.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one is sourced from PubChem (CID 89340985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).