4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

C15H21N3O3 — CID 69098635

IUPAC4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESCOc1nc(N2CCN(C(=O)O)C(C)C2)ccc1C1CC1
InChIInChI=1S/C15H21N3O3/c1-10-9-17(7-8-18(10)15(19)20)13-6-5-12(11-3-4-11)14(16-13)21-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyIQTXDDHJHGKBBC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.16
Rot. Bonds3

About 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 69098635) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID69098635
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESCOc1nc(N2CCN(C(=O)O)C(C)C2)ccc1C1CC1
InChIInChI=1S/C15H21N3O3/c1-10-9-17(7-8-18(10)15(19)20)13-6-5-12(11-3-4-11)14(16-13)21-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKeyIQTXDDHJHGKBBC-UHFFFAOYSA-N
XLogP2.16
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
CID 68869726
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 174238746
tert-butyl (2R)-4-(4-cyclopropyl-3-methoxyphenyl)-2-methylpiperazine-1-carboxylate
CID 69099189
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998
tert-butyl (2R)-4-(6-bromo-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 86329596
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 86785861
(5-cyclopropyl-6-methoxy-2-pyridinyl)methanol
CID 67396693
cyclobutyl-[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 93340767
1-[(2R)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 93340843

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (CID 69098635) is 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is COc1nc(N2CCN(C(=O)O)C(C)C2)ccc1C1CC1.
What is the InChIKey of 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is IQTXDDHJHGKBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-9-17(7-8-18(10)15(19)20)13-6-5-12(11-3-4-11)14(16-13)21-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,20).
What are the key properties of 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69098635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).