4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C18H34N4O2 — CID 47939267

IUPAC4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCN(C(=O)N1CCC(C(=O)NCCN(C)C2CC2)CC1)C(C)C
InChIInChI=1S/C18H34N4O2/c1-5-22(14(2)3)18(24)21-11-8-15(9-12-21)17(23)19-10-13-20(4)16-6-7-16/h14-16H,5-13H2,1-4H3,(H,19,23)
InChIKeyAKSJWJWOMYBWLV-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.76
Rot. Bonds7

About 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 47939267) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID47939267
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCN(C(=O)N1CCC(C(=O)NCCN(C)C2CC2)CC1)C(C)C
InChIInChI=1S/C18H34N4O2/c1-5-22(14(2)3)18(24)21-11-8-15(9-12-21)17(23)19-10-13-20(4)16-6-7-16/h14-16H,5-13H2,1-4H3,(H,19,23)
InChIKeyAKSJWJWOMYBWLV-UHFFFAOYSA-N
XLogP1.76
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62979214
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]cyclopropanecarboxamide
CID 110445585
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
N-[3-(diethylamino)propyl]-1-(2-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86994380

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 47939267) is 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is CCN(C(=O)N1CCC(C(=O)NCCN(C)C2CC2)CC1)C(C)C.
What is the InChIKey of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is AKSJWJWOMYBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-5-22(14(2)3)18(24)21-11-8-15(9-12-21)17(23)19-10-13-20(4)16-6-7-16/h14-16H,5-13H2,1-4H3,(H,19,23).
What are the key properties of 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 47939267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).