methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

C19H29N3O3 — CID 118263631

IUPACmethyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCCC2)C(O)C1
InChIInChI=1S/C19H29N3O3/c1-25-19(24)15-9-6-11-20-18(15)22-12-10-16(17(23)13-22)21-14-7-4-2-3-5-8-14/h6,9,11,14,16-17,21,23H,2-5,7-8,10,12-13H2,1H3
InChIKeyVXDYUTZWVLBJMS-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 118263631) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
PubChem CID118263631
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCCC2)C(O)C1
InChIInChI=1S/C19H29N3O3/c1-25-19(24)15-9-6-11-20-18(15)22-12-10-16(17(23)13-22)21-14-7-4-2-3-5-8-14/h6,9,11,14,16-17,21,23H,2-5,7-8,10,12-13H2,1H3
InChIKeyVXDYUTZWVLBJMS-UHFFFAOYSA-N
XLogP2.12
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (CID 118263631) is methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(NC2CCCCCC2)C(O)C1.
What is the InChIKey of methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is VXDYUTZWVLBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-19(24)15-9-6-11-20-18(15)22-12-10-16(17(23)13-22)21-14-7-4-2-3-5-8-14/h6,9,11,14,16-17,21,23H,2-5,7-8,10,12-13H2,1H3.
What are the key properties of methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 118263631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).