(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide

C12H23N3O2 — CID 81123823

IUPAC(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)15-10(16)8-14-11(17)9-5-4-6-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyMOMNDYGWFLQNER-SECBINFHSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds3

About (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide

(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 81123823) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID81123823
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)15-10(16)8-14-11(17)9-5-4-6-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyMOMNDYGWFLQNER-SECBINFHSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119317958
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123203
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981721

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide (CID 81123823) is (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is MOMNDYGWFLQNER-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)15-10(16)8-14-11(17)9-5-4-6-13-7-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide?
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81123823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).