4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide

C19H37N3O — CID 50809632

IUPAC4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(CN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C19H37N3O/c1-15(2)5-8-20-19(23)22-9-6-18(7-10-22)14-21-12-16(3)11-17(4)13-21/h15-18H,5-14H2,1-4H3,(H,20,23)
InChIKeyBUMYUJHYIOZYER-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.43
Rot. Bonds5

About 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide

4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 50809632) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID50809632
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(CN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C19H37N3O/c1-15(2)5-8-20-19(23)22-9-6-18(7-10-22)14-21-12-16(3)11-17(4)13-21/h15-18H,5-14H2,1-4H3,(H,20,23)
InChIKeyBUMYUJHYIOZYER-UHFFFAOYSA-N
XLogP3.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide (CID 50809632) is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(CN2CC(C)CC(C)C2)CC1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is BUMYUJHYIOZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-15(2)5-8-20-19(23)22-9-6-18(7-10-22)14-21-12-16(3)11-17(4)13-21/h15-18H,5-14H2,1-4H3,(H,20,23).
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide?
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 323.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 50809632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).