3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C21H31N5O2 — CID 97276128

About 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 97276128) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
• PubChem CID: 97276128
• Molecular Formula: C21H31N5O2
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.25
• IUPAC Name: 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
• SMILES: Cc1cc(C)c(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(=O)[nH]1
• InChI: InChI=1S/C21H31N5O2/c1-15-13-16(2)23-20(27)18(15)21(28)26-10-5-7-17(14-26)19-22-8-12-25(19)11-6-9-24(3)4/h8,12-13,17H,5-7,9-11,14H2,1-4H3,(H,23,27)/t17-/m0/s1
• InChIKey: INQSTSJVWKXQBQ-KRWDZBQOSA-N
• XLogP: 2.16
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The IUPAC name of 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 97276128) is 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The canonical SMILES for 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(=O)[nH]1.

What is the InChIKey of 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The InChIKey is INQSTSJVWKXQBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15-13-16(2)23-20(27)18(15)21(28)26-10-5-7-17(14-26)19-22-8-12-25(19)11-6-9-24(3)4/h8,12-13,17H,5-7,9-11,14H2,1-4H3,(H,23,27)/t17-/m0/s1.

What are the key properties of 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 97276128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).