4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide

C20H38N4O2 — CID 126797416

IUPAC4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C20H38N4O2/c1-17(2)24(16-15-22-11-7-5-6-8-12-22)19(25)18-9-13-23(14-10-18)20(26)21(3)4/h17-18H,5-16H2,1-4H3
InChIKeyGGXNQFOJLRPSTO-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.49
Rot. Bonds5

About 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 126797416) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID126797416
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C20H38N4O2/c1-17(2)24(16-15-22-11-7-5-6-8-12-22)19(25)18-9-13-23(14-10-18)20(26)21(3)4/h17-18H,5-16H2,1-4H3
InChIKeyGGXNQFOJLRPSTO-UHFFFAOYSA-N
XLogP2.49
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

3-N-(3-hydroxypropyl)-1-N,1-N-dimethyl-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 61039438
4-N,4-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 61233622
2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 62627270
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
N-[2-(azepan-1-yl)ethyl]-2-ethylsulfonyl-N-propan-2-ylpropanamide
CID 50976219
N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 157028642
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110753579
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 126797416) is 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide is CC(C)N(CCN1CCCCCC1)C(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is GGXNQFOJLRPSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-17(2)24(16-15-22-11-7-5-6-8-12-22)19(25)18-9-13-23(14-10-18)20(26)21(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 366.55 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(azepan-1-yl)ethyl]-1-N,1-N-dimethyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 126797416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).