3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C16H32N4O2 — CID 120650995

IUPAC3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-5-17-13(4)10-18-15(21)14-7-6-8-20(11-14)16(22)19-9-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t13-,14?/m1/s1
InChIKeyBHFGJEMYLDFCAX-KWCCSABGSA-N
MW312.46 g/mol
LogP1.18
Rot. Bonds7

About 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 120650995) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID120650995
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCN[C@H](C)CNC(=O)C1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-5-17-13(4)10-18-15(21)14-7-6-8-20(11-14)16(22)19-9-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t13-,14?/m1/s1
InChIKeyBHFGJEMYLDFCAX-KWCCSABGSA-N
XLogP1.18
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110568
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 120650995) is 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CCN[C@H](C)CNC(=O)C1CCCN(C(=O)NCC(C)C)C1.
What is the InChIKey of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is BHFGJEMYLDFCAX-KWCCSABGSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-5-17-13(4)10-18-15(21)14-7-6-8-20(11-14)16(22)19-9-12(2)3/h12-14,17H,5-11H2,1-4H3,(H,18,21)(H,19,22)/t13-,14?/m1/s1.
What are the key properties of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 312.46 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 120650995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).