N-(aminomethyl)piperidine-4-carboxamide;ethane

C9H21N3O — CID 167467064

IUPACN-(aminomethyl)piperidine-4-carboxamide;ethane
SMILESCC.NCNC(=O)C1CCNCC1
InChIInChI=1S/C7H15N3O.C2H6/c8-5-10-7(11)6-1-3-9-4-2-6;1-2/h6,9H,1-5,8H2,(H,10,11);1-2H3
InChIKeyHMHOVWFPMWQWIJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.04
Rot. Bonds2

About N-(aminomethyl)piperidine-4-carboxamide;ethane

N-(aminomethyl)piperidine-4-carboxamide;ethane (PubChem CID 167467064) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(aminomethyl)piperidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-(aminomethyl)piperidine-4-carboxamide;ethane
PubChem CID167467064
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-(aminomethyl)piperidine-4-carboxamide;ethane
SMILESCC.NCNC(=O)C1CCNCC1
InChIInChI=1S/C7H15N3O.C2H6/c8-5-10-7(11)6-1-3-9-4-2-6;1-2/h6,9H,1-5,8H2,(H,10,11);1-2H3
InChIKeyHMHOVWFPMWQWIJ-UHFFFAOYSA-N
XLogP0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
CID 169021448
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
N-[(2-methylcyclopropyl)methyl]piperidine-4-carboxamide
CID 115733780
N-ethoxypiperidine-4-carboxamide
CID 64974737
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)piperidine-4-carboxamide;ethane?
The IUPAC name of N-(aminomethyl)piperidine-4-carboxamide;ethane (CID 167467064) is N-(aminomethyl)piperidine-4-carboxamide;ethane.
What is the SMILES notation for N-(aminomethyl)piperidine-4-carboxamide;ethane?
The canonical SMILES for N-(aminomethyl)piperidine-4-carboxamide;ethane is CC.NCNC(=O)C1CCNCC1.
What is the InChIKey of N-(aminomethyl)piperidine-4-carboxamide;ethane?
The InChIKey is HMHOVWFPMWQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.C2H6/c8-5-10-7(11)6-1-3-9-4-2-6;1-2/h6,9H,1-5,8H2,(H,10,11);1-2H3.
What are the key properties of N-(aminomethyl)piperidine-4-carboxamide;ethane?
N-(aminomethyl)piperidine-4-carboxamide;ethane has a molecular weight of 187.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)piperidine-4-carboxamide;ethane is sourced from PubChem (CID 167467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).