N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide

C16H25N3O2 — CID 63325355

IUPACN-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(O)c(CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12-4-5-15(20)14(9-12)11-19-8-2-3-13(10-19)16(21)18-7-6-17/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21)
InChIKeyIMBFCXWIISHSBX-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds5

About N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 63325355) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID63325355
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(O)c(CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12-4-5-15(20)14(9-12)11-19-8-2-3-13(10-19)16(21)18-7-6-17/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21)
InChIKeyIMBFCXWIISHSBX-UHFFFAOYSA-N
XLogP0.99
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 103815402
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide (CID 63325355) is N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(O)c(CN2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IMBFCXWIISHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-4-5-15(20)14(9-12)11-19-8-2-3-13(10-19)16(21)18-7-6-17/h4-5,9,13,20H,2-3,6-8,10-11,17H2,1H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63325355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).