N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide

C15H23N3O — CID 79153018

IUPACN-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O/c1-11-6-8-18(9-7-11)15(19)17-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyNLYQWBRCZLSASV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.77
Rot. Bonds2

About N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide

N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 79153018) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide
PubChem CID79153018
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O/c1-11-6-8-18(9-7-11)15(19)17-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,16H2,1-2H3,(H,17,19)
InChIKeyNLYQWBRCZLSASV-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-[1-(3-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81324524
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide (CID 79153018) is N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(C)c2cccc(N)c2)CC1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is NLYQWBRCZLSASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-8-18(9-7-11)15(19)17-12(2)13-4-3-5-14(16)10-13/h3-5,10-12H,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide?
N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79153018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).