4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide

C17H27N5O3 — CID 56817760

IUPAC4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Nc2cccnc2OC)CC1
InChIInChI=1S/C17H27N5O3/c1-4-21(5-2)15(23)13-20-9-11-22(12-10-20)17(24)19-14-7-6-8-18-16(14)25-3/h6-8H,4-5,9-13H2,1-3H3,(H,19,24)
InChIKeyQTHUJNGCFDVCMV-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.11
Rot. Bonds6

About 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide

4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 56817760) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID56817760
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)Nc2cccnc2OC)CC1
InChIInChI=1S/C17H27N5O3/c1-4-21(5-2)15(23)13-20-9-11-22(12-10-20)17(24)19-14-7-6-8-18-16(14)25-3/h6-8H,4-5,9-13H2,1-3H3,(H,19,24)
InChIKeyQTHUJNGCFDVCMV-UHFFFAOYSA-N
XLogP1.11
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783484
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-[2-(diethylamino)-2-oxoethyl]-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide
CID 38883974
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(2R)-N-(2-methoxy-3-pyridinyl)-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 124603422
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide (CID 56817760) is 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide is CCN(CC)C(=O)CN1CCN(C(=O)Nc2cccnc2OC)CC1.
What is the InChIKey of 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is QTHUJNGCFDVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-21(5-2)15(23)13-20-9-11-22(12-10-20)17(24)19-14-7-6-8-18-16(14)25-3/h6-8H,4-5,9-13H2,1-3H3,(H,19,24).
What are the key properties of 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 56817760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).