N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

C17H26N4O3 — CID 126781942

IUPACN-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(CC3CCOC3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-2-24-16-4-3-15(11-18-16)19-17(22)21-8-6-20(7-9-21)12-14-5-10-23-13-14/h3-4,11,14H,2,5-10,12-13H2,1H3,(H,19,22)
InChIKeyQBDPOCWDLCOJHR-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.67
Rot. Bonds5

About N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 126781942) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID126781942
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(CC3CCOC3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-2-24-16-4-3-15(11-18-16)19-17(22)21-8-6-20(7-9-21)12-14-5-10-23-13-14/h3-4,11,14H,2,5-10,12-13H2,1H3,(H,19,22)
InChIKeyQBDPOCWDLCOJHR-UHFFFAOYSA-N
XLogP1.67
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126788376
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(3-ethoxyphenyl)piperazine-1-carboxamide
CID 95630489
N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 102559200
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
N-(6-fluoro-3-pyridinyl)-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 97279001
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (CID 126781942) is N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(CC3CCOC3)CC2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QBDPOCWDLCOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-24-16-4-3-15(11-18-16)19-17(22)21-8-6-20(7-9-21)12-14-5-10-23-13-14/h3-4,11,14H,2,5-10,12-13H2,1H3,(H,19,22).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126781942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).