N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide

C16H25N3O2 — CID 172880737

IUPACN-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1cccnc1N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)18-15(20)12-7-6-10-19(11-12)14-13(21-4)8-5-9-17-14/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,18,20)
InChIKeyWLKCGVMCMVNYMC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.22
Rot. Bonds3

About N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide

N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 172880737) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
PubChem CID172880737
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1cccnc1N1CCCC(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)18-15(20)12-7-6-10-19(11-12)14-13(21-4)8-5-9-17-14/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,18,20)
InChIKeyWLKCGVMCMVNYMC-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 166606098
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide (CID 172880737) is N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide is COc1cccnc1N1CCCC(C(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is WLKCGVMCMVNYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)18-15(20)12-7-6-10-19(11-12)14-13(21-4)8-5-9-17-14/h5,8-9,12H,6-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide?
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 172880737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).