N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide

C17H27N3O — CID 56787449

IUPACN-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCN1CCc1ccncc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)19-16(21)15-6-4-5-12-20(15)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,19,21)
InChIKeyRBBUTQFVIDTQMN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds4

About N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide

N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide (PubChem CID 56787449) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide
PubChem CID56787449
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCN1CCc1ccncc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)19-16(21)15-6-4-5-12-20(15)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,19,21)
InChIKeyRBBUTQFVIDTQMN-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
CID 77041964
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
methyl (2S,3aR,7aR)-1-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124793095
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 56782588
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide (CID 56787449) is N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide is CC(C)(C)NC(=O)C1CCCCN1CCc1ccncc1.
What is the InChIKey of N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide?
The InChIKey is RBBUTQFVIDTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)19-16(21)15-6-4-5-12-20(15)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide?
N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-pyridin-4-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 56787449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).