N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide

C16H25N3O — CID 79159196

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H25N3O/c1-3-18(12-14-8-4-5-9-15(14)17)16(20)19-10-6-7-13(2)11-19/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3
InChIKeyLSDKATHANSFRGE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide

N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide (PubChem CID 79159196) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
PubChem CID79159196
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(Cc1ccccc1N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H25N3O/c1-3-18(12-14-8-4-5-9-15(14)17)16(20)19-10-6-7-13(2)11-19/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3
InChIKeyLSDKATHANSFRGE-UHFFFAOYSA-N
XLogP2.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082037
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79160129
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
2-[(3-methylpiperidin-1-yl)sulfonylmethyl]aniline
CID 62021640

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide (CID 79159196) is N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide is CCN(Cc1ccccc1N)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide?
The InChIKey is LSDKATHANSFRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18(12-14-8-4-5-9-15(14)17)16(20)19-10-6-7-13(2)11-19/h4-5,8-9,13H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide?
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).