[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate

C16H25N3O2 — CID 175024040

IUPAC[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCNc1ccc(C2CCN(OC(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15(20)21-19-9-7-12(8-10-19)13-5-6-14(17-4)18-11-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyVPTKNIBNTCUMNW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.81
Rot. Bonds3

About [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175024040) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175024040
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCNc1ccc(C2CCN(OC(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)15(20)21-19-9-7-12(8-10-19)13-5-6-14(17-4)18-11-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyVPTKNIBNTCUMNW-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
N-[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]acetamide
CID 176691997
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174731871
tert-butyl 4-[6-[(4-methylsulfonylbenzoyl)amino]-3-pyridinyl]piperidine-1-carboxylate
CID 67083252
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
N-methyl-5-[(2R)-oxiran-2-yl]pyridin-2-amine
CID 58651452
tert-butyl 4-[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]piperidine-1-carboxylate
CID 66742247
4-[[(5-cyclobutyl-2-pyridinyl)amino]methyl]benzoic acid
CID 122034848

Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 175024040) is [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate is CNc1ccc(C2CCN(OC(=O)C(C)(C)C)CC2)cn1.
What is the InChIKey of [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is VPTKNIBNTCUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)15(20)21-19-9-7-12(8-10-19)13-5-6-14(17-4)18-11-13/h5-6,11-12H,7-10H2,1-4H3,(H,17,18).
What are the key properties of [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175024040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).