2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

C17H29N3O — CID 115313060

IUPAC2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESCC1CC(N)CCN1CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H29N3O/c1-13-11-14(18)9-10-19(13)12-17(21)20(16-7-8-16)15-5-3-2-4-6-15/h5,13-14,16H,2-4,6-12,18H2,1H3
InChIKeyMXBLXGSJUBZLLR-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (PubChem CID 115313060) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
PubChem CID115313060
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESCC1CC(N)CCN1CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C17H29N3O/c1-13-11-14(18)9-10-19(13)12-17(21)20(16-7-8-16)15-5-3-2-4-6-15/h5,13-14,16H,2-4,6-12,18H2,1H3
InChIKeyMXBLXGSJUBZLLR-UHFFFAOYSA-N
XLogP2.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
4-Acetyltetrahydroquinoxalin-2-one
CID 129788254
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex-3-en-1-yl]acetamide
CID 68272063
N-cyclohexyl-2-[4-(1,2,3,4-tetrahydropyridin-6-yl)piperidin-1-yl]acetamide
CID 69732565
N-[2-[4-(cyclohexen-1-yl)piperazin-1-yl]ethyl]acetamide
CID 70289627
1-Prop-2-enyl-3,4,4a,5,6,7-hexahydroquinoxalin-2-one
CID 70392243
4-methyl-6,7,8,8a-tetrahydro-1H-quinoxaline-2,3-dione
CID 70418755
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
3,4-Dimethyl-1,3,6,7,8,8a-hexahydroquinoxalin-2-one
CID 89814581
3,4-Diethyl-1,3,6,7,8,8a-hexahydroquinoxalin-2-one
CID 89815821

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (CID 115313060) is 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is CC1CC(N)CCN1CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The InChIKey is MXBLXGSJUBZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-11-14(18)9-10-19(13)12-17(21)20(16-7-8-16)15-5-3-2-4-6-15/h5,13-14,16H,2-4,6-12,18H2,1H3.
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 115313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).