4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide

C12H21N3O — CID 83262365

IUPAC4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESC#CCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H21N3O/c1-4-5-8-13-11-6-9-15(10-7-11)12(16)14(2)3/h1,11,13H,5-10H2,2-3H3
InChIKeyMVWBPDXTOSEGFH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.75
Rot. Bonds3

About 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide

4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83262365) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83262365
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESC#CCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H21N3O/c1-4-5-8-13-11-6-9-15(10-7-11)12(16)14(2)3/h1,11,13H,5-10H2,2-3H3
InChIKeyMVWBPDXTOSEGFH-UHFFFAOYSA-N
XLogP0.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
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

N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83190034
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
CID 115899675
4-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201902
4-[(3-hydroxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261087

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide (CID 83262365) is 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide is C#CCCNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is MVWBPDXTOSEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-8-13-11-6-9-15(10-7-11)12(16)14(2)3/h1,11,13H,5-10H2,2-3H3.
What are the key properties of 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide?
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83262365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).