(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide

C16H27N5O2 — CID 126433090

IUPAC(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)NCc2ncc(C)[nH]2)C1
InChIInChI=1S/C16H27N5O2/c1-4-20(5-2)15(22)13-7-6-8-21(11-13)16(23)18-10-14-17-9-12(3)19-14/h9,13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,23)/t13-/m0/s1
InChIKeyXTFMEESVJOKWBZ-ZDUSSCGKSA-N
MW321.43 g/mol
LogP1.51
Rot. Bonds5

About (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide

(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 126433090) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID126433090
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C(=O)NCc2ncc(C)[nH]2)C1
InChIInChI=1S/C16H27N5O2/c1-4-20(5-2)15(22)13-7-6-8-21(11-13)16(23)18-10-14-17-9-12(3)19-14/h9,13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,23)/t13-/m0/s1
InChIKeyXTFMEESVJOKWBZ-ZDUSSCGKSA-N
XLogP1.51
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 70998444
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 156584269
N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
CID 141127866
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
1-(benzhydrylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785270
1-N-(2,1,3-benzothiadiazol-5-yl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 2925009
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide (CID 126433090) is (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide is CCN(CC)C(=O)[C@H]1CCCN(C(=O)NCc2ncc(C)[nH]2)C1.
What is the InChIKey of (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is XTFMEESVJOKWBZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-4-20(5-2)15(22)13-7-6-8-21(11-13)16(23)18-10-14-17-9-12(3)19-14/h9,13H,4-8,10-11H2,1-3H3,(H,17,19)(H,18,23)/t13-/m0/s1.
What are the key properties of (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 126433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).