N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide

C11H19N3O — CID 79159247

IUPACN-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
SMILESCCC(C#N)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H19N3O/c1-3-10(7-12)13-11(15)14-6-4-5-9(2)8-14/h9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyHIYPDLSIVRECIM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds2

About N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide

N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79159247) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
PubChem CID79159247
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
SMILESCCC(C#N)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H19N3O/c1-3-10(7-12)13-11(15)14-6-4-5-9(2)8-14/h9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyHIYPDLSIVRECIM-UHFFFAOYSA-N
XLogP1.73
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
CID 97108959
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
2-[(3-methylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61186527

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide (CID 79159247) is N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide is CCC(C#N)NC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is HIYPDLSIVRECIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10(7-12)13-11(15)14-6-4-5-9(2)8-14/h9-10H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide?
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).