N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide

C14H24N2O — CID 89449481

IUPACN,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCN(C)C(=O)N1CCC(C)C(C(C)C)C1
InChIInChI=1S/C14H24N2O/c1-6-8-15(5)14(17)16-9-7-12(4)13(10-16)11(2)3/h1,11-13H,7-10H2,2-5H3
InChIKeyINHVMTKHORKCIQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds2

About N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide

N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide (PubChem CID 89449481) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide
PubChem CID89449481
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCN(C)C(=O)N1CCC(C)C(C(C)C)C1
InChIInChI=1S/C14H24N2O/c1-6-8-15(5)14(17)16-9-7-12(4)13(10-16)11(2)3/h1,11-13H,7-10H2,2-5H3
InChIKeyINHVMTKHORKCIQ-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide
CID 176982125
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284058
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
tert-butyl (3S)-3-[bis(prop-2-ynyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95990621
(4R)-1-ethyl-4-methyl-3-propan-2-ylpiperidine
CID 166105032
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039
1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 112754583
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide?
The IUPAC name of N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide (CID 89449481) is N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide?
The canonical SMILES for N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide is C#CCN(C)C(=O)N1CCC(C)C(C(C)C)C1.
What is the InChIKey of N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide?
The InChIKey is INHVMTKHORKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-8-15(5)14(17)16-9-7-12(4)13(10-16)11(2)3/h1,11-13H,7-10H2,2-5H3.
What are the key properties of N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide?
N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide is sourced from PubChem (CID 89449481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).