N-[2-(methylamino)ethyl]piperidine-4-carboxamide

C9H19N3O — CID 118234588

IUPACN-[2-(methylamino)ethyl]piperidine-4-carboxamide
SMILESCNCCNC(=O)C1CCNCC1
InChIInChI=1S/C9H19N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8,10-11H,2-7H2,1H3,(H,12,13)
InChIKeyXHXOXONLEJSAKH-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.68
Rot. Bonds4

About N-[2-(methylamino)ethyl]piperidine-4-carboxamide

N-[2-(methylamino)ethyl]piperidine-4-carboxamide (PubChem CID 118234588) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]piperidine-4-carboxamide
PubChem CID118234588
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-(methylamino)ethyl]piperidine-4-carboxamide
SMILESCNCCNC(=O)C1CCNCC1
InChIInChI=1S/C9H19N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8,10-11H,2-7H2,1H3,(H,12,13)
InChIKeyXHXOXONLEJSAKH-UHFFFAOYSA-N
XLogP-0.68
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.68
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-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]piperidine-4-carboxamide (CID 118234588) is N-[2-(methylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]piperidine-4-carboxamide is CNCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[2-(methylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is XHXOXONLEJSAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-6-7-12-9(13)8-2-4-11-5-3-8/h8,10-11H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(methylamino)ethyl]piperidine-4-carboxamide?
N-[2-(methylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 118234588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).