N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide

C11H19N3O — CID 79160318

IUPACN-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCC#N)CC1
InChIInChI=1S/C11H19N3O/c1-10-4-8-14(9-5-10)11(15)13-7-3-2-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)
InChIKeySYZZLBNZCCJDPT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds3

About N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide

N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79160318) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
PubChem CID79160318
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCCC#N)CC1
InChIInChI=1S/C11H19N3O/c1-10-4-8-14(9-5-10)11(15)13-7-3-2-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)
InChIKeySYZZLBNZCCJDPT-UHFFFAOYSA-N
XLogP1.73
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115640943
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
N-[2-(methanesulfinamido)ethyl]-4-methylpiperidine-1-carboxamide
CID 143816836

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide (CID 79160318) is N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCCC#N)CC1.
What is the InChIKey of N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is SYZZLBNZCCJDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-4-8-14(9-5-10)11(15)13-7-3-2-6-12/h10H,2-5,7-9H2,1H3,(H,13,15).
What are the key properties of N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide?
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).