N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide

C14H20N4O2 — CID 110086084

IUPACN,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccncc2)C(C(=O)N(C)C)C1
InChIInChI=1S/C14H20N4O2/c1-16(2)14(20)12-10-17(3)8-9-18(12)13(19)11-4-6-15-7-5-11/h4-7,12H,8-10H2,1-3H3
InChIKeyZEMNTFHVFXHSEM-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.07
Rot. Bonds2

About N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide

N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 110086084) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
PubChem CID110086084
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccncc2)C(C(=O)N(C)C)C1
InChIInChI=1S/C14H20N4O2/c1-16(2)14(20)12-10-17(3)8-9-18(12)13(19)11-4-6-15-7-5-11/h4-7,12H,8-10H2,1-3H3
InChIKeyZEMNTFHVFXHSEM-UHFFFAOYSA-N
XLogP-0.07
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-(pyridine-4-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
CID 70743773
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(2R)-N,N-diethyl-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 95196009
N-methyl-4-propan-2-yl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 110086083
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80504994
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 124977606
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
CID 175719598
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide (CID 110086084) is N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide is CN1CCN(C(=O)c2ccncc2)C(C(=O)N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is ZEMNTFHVFXHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16(2)14(20)12-10-17(3)8-9-18(12)13(19)11-4-6-15-7-5-11/h4-7,12H,8-10H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide?
N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(pyridine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).