N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C17H24N4O3 — CID 146091914

IUPACN-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-5-6-14(13(2)18-12)19-17(23)21-9-7-20(8-10-21)16(22)15-4-3-11-24-15/h5-6,15H,3-4,7-11H2,1-2H3,(H,19,23)
InChIKeyDSCYUMBOJISZPJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.55
Rot. Bonds2

About N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 146091914) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID146091914
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-5-6-14(13(2)18-12)19-17(23)21-9-7-20(8-10-21)16(22)15-4-3-11-24-15/h5-6,15H,3-4,7-11H2,1-2H3,(H,19,23)
InChIKeyDSCYUMBOJISZPJ-UHFFFAOYSA-N
XLogP1.55
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 136577578
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 126777645
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
CID 124810653
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 78839934
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 146091914) is N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DSCYUMBOJISZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-5-6-14(13(2)18-12)19-17(23)21-9-7-20(8-10-21)16(22)15-4-3-11-24-15/h5-6,15H,3-4,7-11H2,1-2H3,(H,19,23).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 146091914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).