2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

C15H21N3O2 — CID 64656494

IUPAC2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCN1CC(NC(=O)Cc2ccc(CN)cc2)CCC1=O
InChIInChI=1S/C15H21N3O2/c1-18-10-13(6-7-15(18)20)17-14(19)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-10,16H2,1H3,(H,17,19)
InChIKeyQPDCTQCDGVDOSS-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.42
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (PubChem CID 64656494) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
PubChem CID64656494
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCN1CC(NC(=O)Cc2ccc(CN)cc2)CCC1=O
InChIInChI=1S/C15H21N3O2/c1-18-10-13(6-7-15(18)20)17-14(19)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-10,16H2,1H3,(H,17,19)
InChIKeyQPDCTQCDGVDOSS-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 124755207
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (CID 64656494) is 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is CN1CC(NC(=O)Cc2ccc(CN)cc2)CCC1=O.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The InChIKey is QPDCTQCDGVDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-13(6-7-15(18)20)17-14(19)8-11-2-4-12(9-16)5-3-11/h2-5,13H,6-10,16H2,1H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 64656494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).