3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione

C19H29N3O3 — CID 19899504

IUPAC3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCCC(NC)(NC)C1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C19H29N3O3/c1-7-18(20-4,21-5)19(13-9-8-10-14(11-13)25-6)16(24)22-15(23)12-17(19,2)3/h8-11,20-21H,7,12H2,1-6H3,(H,22,23,24)
InChIKeyQDYDPBMLPULGSJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.55
Rot. Bonds6

About 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione

3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 19899504) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID19899504
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCCC(NC)(NC)C1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C
InChIInChI=1S/C19H29N3O3/c1-7-18(20-4,21-5)19(13-9-8-10-14(11-13)25-6)16(24)22-15(23)12-17(19,2)3/h8-11,20-21H,7,12H2,1-6H3,(H,22,23,24)
InChIKeyQDYDPBMLPULGSJ-UHFFFAOYSA-N
XLogP1.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione (CID 19899504) is 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione is CCC(NC)(NC)C1(c2cccc(OC)c2)C(=O)NC(=O)CC1(C)C.
What is the InChIKey of 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is QDYDPBMLPULGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-7-18(20-4,21-5)19(13-9-8-10-14(11-13)25-6)16(24)22-15(23)12-17(19,2)3/h8-11,20-21H,7,12H2,1-6H3,(H,22,23,24).
What are the key properties of 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione?
3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 347.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(methylamino)propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 19899504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).