N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide

C13H25N3O2 — CID 114162096

IUPACN-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCCCCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2)7-5-9-15-11(13)12(18)16-8-4-3-6-10(14)17/h11,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyNUGPTGZNGUMWLS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds6

About N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide

N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 114162096) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
PubChem CID114162096
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NCCCCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2)7-5-9-15-11(13)12(18)16-8-4-3-6-10(14)17/h11,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyNUGPTGZNGUMWLS-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
CID 106221816
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
CID 114084318
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084152
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide (CID 114162096) is N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCNC1C(=O)NCCCCC(N)=O.
What is the InChIKey of N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is NUGPTGZNGUMWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2)7-5-9-15-11(13)12(18)16-8-4-3-6-10(14)17/h11,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide?
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114162096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).