4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide

C19H30N4O2 — CID 126426190

IUPAC4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)NCCC[C@@H]3CCOC3)CC2)cc(C)n1
InChIInChI=1S/C19H30N4O2/c1-15-12-18(13-16(2)21-15)22-7-9-23(10-8-22)19(24)20-6-3-4-17-5-11-25-14-17/h12-13,17H,3-11,14H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeySCGOLVKSYFOVKL-QGZVFWFLSA-N
MW346.48 g/mol
LogP2.35
Rot. Bonds5

About 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide

4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide (PubChem CID 126426190) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide
PubChem CID126426190
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)NCCC[C@@H]3CCOC3)CC2)cc(C)n1
InChIInChI=1S/C19H30N4O2/c1-15-12-18(13-16(2)21-15)22-7-9-23(10-8-22)19(24)20-6-3-4-17-5-11-25-14-17/h12-13,17H,3-11,14H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeySCGOLVKSYFOVKL-QGZVFWFLSA-N
XLogP2.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
CID 126441118
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
CID 125179458
(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114131749
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 136512774
5,7-dimethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124750862
2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
CID 126436385
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide (CID 126426190) is 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)NCCC[C@@H]3CCOC3)CC2)cc(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide?
The InChIKey is SCGOLVKSYFOVKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-18(13-16(2)21-15)22-7-9-23(10-8-22)19(24)20-6-3-4-17-5-11-25-14-17/h12-13,17H,3-11,14H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide?
4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide is sourced from PubChem (CID 126426190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).