1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide

C32H55N3O — CID 168883919

About 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide

1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide (PubChem CID 168883919) has the molecular formula C32H55N3O and a molecular weight of 497.81 g/mol. Its IUPAC name is 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide
• PubChem CID: 168883919
• Molecular Formula: C32H55N3O
• Molecular Weight: 497.81 g/mol
• Exact Mass: 497.43
• IUPAC Name: 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide
• SMILES: C=C1C=C2CCC3C(CCC4(C)C(C(C)NC)CCC34)C2(C)CC1.CC(=O)N(C)CC1CCCCN1
• InChI: InChI=1S/C23H37N.C9H18N2O/c1-15-10-12-22(3)17(14-15)6-7-18-20-9-8-19(16(2)24-5)23(20,4)13-11-21(18)22;1-8(12)11(2)7-9-5-3-4-6-10-9/h14,16,18-21,24H,1,6-13H2,2-5H3;9-10H,3-7H2,1-2H3
• InChIKey: SUJYLOWFWOMWAJ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.81
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide?

The IUPAC name of 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide (CID 168883919) is 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide.

What is the SMILES notation for 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide?

The canonical SMILES for 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide is C=C1C=C2CCC3C(CCC4(C)C(C(C)NC)CCC34)C2(C)CC1.CC(=O)N(C)CC1CCCCN1.

What is the InChIKey of 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide?

The InChIKey is SUJYLOWFWOMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N.C9H18N2O/c1-15-10-12-22(3)17(14-15)6-7-18-20-9-8-19(16(2)24-5)23(20,4)13-11-21(18)22;1-8(12)11(2)7-9-5-3-4-6-10-9/h14,16,18-21,24H,1,6-13H2,2-5H3;9-10H,3-7H2,1-2H3.

What are the key properties of 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide?

1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide has a molecular weight of 497.81 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-N-methylethanamine;N-methyl-N-(piperidin-2-ylmethyl)acetamide is sourced from PubChem (CID 168883919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).