(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide

C16H31N3O — CID 158397052

IUPAC(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide
SMILESCNC(=O)[C@]1(C(C)(C)C)CCCCN1C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-15(2,3)16(14(20)17-4)9-5-6-12-19(16)13-7-10-18-11-8-13/h13,18H,5-12H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyGXQCRLALBZZMAW-INIZCTEOSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds2

About (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide

(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide (PubChem CID 158397052) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide
PubChem CID158397052
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide
SMILESCNC(=O)[C@]1(C(C)(C)C)CCCCN1C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-15(2,3)16(14(20)17-4)9-5-6-12-19(16)13-7-10-18-11-8-13/h13,18H,5-12H2,1-4H3,(H,17,20)/t16-/m0/s1
InChIKeyGXQCRLALBZZMAW-INIZCTEOSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71104083
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate;N,4-dimethylpiperidine-4-carboxamide;dihydrochloride
CID 159762933
3-bromo-3-tert-butyl-1-piperidin-4-ylpiperidin-2-one
CID 123347822
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid
CID 115055711
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
1-methyl-3-piperidin-4-ylurea
CID 18759970
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
N-(2,2-dimethylcyclopentyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide?
The IUPAC name of (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide (CID 158397052) is (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide is CNC(=O)[C@]1(C(C)(C)C)CCCCN1C1CCNCC1.
What is the InChIKey of (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide?
The InChIKey is GXQCRLALBZZMAW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2,3)16(14(20)17-4)9-5-6-12-19(16)13-7-10-18-11-8-13/h13,18H,5-12H2,1-4H3,(H,17,20)/t16-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide?
(2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-N-methyl-1-piperidin-4-ylpiperidine-2-carboxamide is sourced from PubChem (CID 158397052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).