N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide

C14H20N3O+ — CID 7675163

IUPACN-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide
SMILESCC[NH+]1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O/c1-2-17-10-8-13(9-11-17)15-16-14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)/p+1
InChIKeyFBMCTNNWCWFLDU-UHFFFAOYSA-O
MW246.33 g/mol
LogP0.47
Rot. Bonds3

About N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide

N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide (PubChem CID 7675163) has the molecular formula C14H20N3O+ and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide
PubChem CID7675163
Molecular FormulaC14H20N3O+
Molecular Weight246.33 g/mol
Exact Mass246.16
IUPAC NameN-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide
SMILESCC[NH+]1CCC(=NNC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O/c1-2-17-10-8-13(9-11-17)15-16-14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)/p+1
InChIKeyFBMCTNNWCWFLDU-UHFFFAOYSA-O
XLogP0.47
TPSA45.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclododecylideneamino)benzamide
CID 4147051
trans-(1S,2S)-N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 7114982
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183
3-nitro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 7102753
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
ethyl N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]carbamate
CID 6949920
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide?
The IUPAC name of N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide (CID 7675163) is N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide.
What is the SMILES notation for N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide?
The canonical SMILES for N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide is CC[NH+]1CCC(=NNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide?
The InChIKey is FBMCTNNWCWFLDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3O/c1-2-17-10-8-13(9-11-17)15-16-14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)/p+1.
What are the key properties of N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide?
N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide has a molecular weight of 246.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]benzamide is sourced from PubChem (CID 7675163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).