methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate

C17H24N2O3 — CID 96570392

IUPACmethyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCCC[C@@]1(C)CCCN(C(=O)c2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-4-7-17(2)8-5-10-19(12-17)15(20)13-6-9-18-14(11-13)16(21)22-3/h6,9,11H,4-5,7-8,10,12H2,1-3H3/t17-/m0/s1
InChIKeyAOCMRTLWCZOMAO-KRWDZBQOSA-N
MW304.39 g/mol
LogP2.91
Rot. Bonds4

About methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate

methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 96570392) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID96570392
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCCC[C@@]1(C)CCCN(C(=O)c2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-4-7-17(2)8-5-10-19(12-17)15(20)13-6-9-18-14(11-13)16(21)22-3/h6,9,11H,4-5,7-8,10,12H2,1-3H3/t17-/m0/s1
InChIKeyAOCMRTLWCZOMAO-KRWDZBQOSA-N
XLogP2.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate (CID 96570392) is methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate is CCC[C@@]1(C)CCCN(C(=O)c2ccnc(C(=O)OC)c2)C1.
What is the InChIKey of methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is AOCMRTLWCZOMAO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-7-17(2)8-5-10-19(12-17)15(20)13-6-9-18-14(11-13)16(21)22-3/h6,9,11H,4-5,7-8,10,12H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate?
methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3S)-3-methyl-3-propylpiperidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 96570392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).