N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide

C16H25N3O — CID 102736075

IUPACN-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cccc(N)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-15(4-3-5-16(12)17)11-19-8-6-14(7-9-19)10-18-13(2)20/h3-5,14H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyDRFGPKSXRFUFPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736075) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736075
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cccc(N)c2C)CC1
InChIInChI=1S/C16H25N3O/c1-12-15(4-3-5-16(12)17)11-19-8-6-14(7-9-19)10-18-13(2)20/h3-5,14H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyDRFGPKSXRFUFPZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
1-[4-[(3-amino-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 43509104
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]aniline
CID 63010141
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
N-[[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736984
methyl 2-amino-6-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoate
CID 103505252
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 102736075) is N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cccc(N)c2C)CC1.
What is the InChIKey of N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is DRFGPKSXRFUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-15(4-3-5-16(12)17)11-19-8-6-14(7-9-19)10-18-13(2)20/h3-5,14H,6-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).