(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C15H26N6O2 — CID 97207686

IUPAC(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H26N6O2/c1-11-17-12(2)21(18-11)9-7-16-14(22)13-6-5-8-20(10-13)15(23)19(3)4/h13H,5-10H2,1-4H3,(H,16,22)/t13-/m1/s1
InChIKeyGMKKNJKNNIXRCG-CYBMUJFWSA-N
MW322.41 g/mol
LogP0.40
Rot. Bonds4

About (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 97207686) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID97207686
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H26N6O2/c1-11-17-12(2)21(18-11)9-7-16-14(22)13-6-5-8-20(10-13)15(23)19(3)4/h13H,5-10H2,1-4H3,(H,16,22)/t13-/m1/s1
InChIKeyGMKKNJKNNIXRCG-CYBMUJFWSA-N
XLogP0.40
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97200908
(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56917679
(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869
3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 72892139
(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97188441
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 97207686) is (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is Cc1nc(C)n(CCNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)n1.
What is the InChIKey of (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is GMKKNJKNNIXRCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-11-17-12(2)21(18-11)9-7-16-14(22)13-6-5-8-20(10-13)15(23)19(3)4/h13H,5-10H2,1-4H3,(H,16,22)/t13-/m1/s1.
What are the key properties of (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 97207686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).