N-but-3-ynyl-2-methylpiperidine-2-carboxamide

C11H18N2O — CID 104596852

IUPACN-but-3-ynyl-2-methylpiperidine-2-carboxamide
SMILESC#CCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14)
InChIKeyGVIACOPDEJPDQY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.66
Rot. Bonds3

About N-but-3-ynyl-2-methylpiperidine-2-carboxamide

N-but-3-ynyl-2-methylpiperidine-2-carboxamide (PubChem CID 104596852) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-but-3-ynyl-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-methylpiperidine-2-carboxamide
PubChem CID104596852
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-but-3-ynyl-2-methylpiperidine-2-carboxamide
SMILESC#CCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14)
InChIKeyGVIACOPDEJPDQY-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Piperidine-2-carboxylic acid tert-butylamide
CID 5289197
N-tert-butylpiperidine-2-carboxamide
CID 3318550
(S)-3-Isobutylpiperazin-2-one
CID 11693939
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 14877502
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
3-(2-Methylpropyl)piperazin-2-one
CID 13520366
3-Methyl-3-propylpiperazin-2-one
CID 54773632
N-tert-butylpiperidine-2-carboxamide hydrochloride
CID 56832045
(2R)-N-tert-butylpiperidine-2-carboxamide
CID 40607542
Pipecolyl-leucyl-glycinamide
CID 128422
N,N-Diethyl-1-(prop-2-ynylamino)cyclohexane-1-carboxamide
CID 71999874
(3S,6S)-3-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 134870366

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-but-3-ynyl-2-methylpiperidine-2-carboxamide (CID 104596852) is N-but-3-ynyl-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-but-3-ynyl-2-methylpiperidine-2-carboxamide is C#CCCNC(=O)C1(C)CCCCN1.
What is the InChIKey of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
The InChIKey is GVIACOPDEJPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-8-12-10(14)11(2)7-5-6-9-13-11/h1,13H,4-9H2,2H3,(H,12,14).
What are the key properties of N-but-3-ynyl-2-methylpiperidine-2-carboxamide?
N-but-3-ynyl-2-methylpiperidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).