N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride

C14H22ClN3O — CID 118025180

IUPACN-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11(18)16-14-4-2-12(3-5-14)10-17-8-6-13(15)7-9-17;/h2-5,13H,6-10,15H2,1H3,(H,16,18);1H
InChIKeyMYUPYJNTEWOSHN-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.99
Rot. Bonds3

About N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride

N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride (PubChem CID 118025180) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
PubChem CID118025180
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11(18)16-14-4-2-12(3-5-14)10-17-8-6-13(15)7-9-17;/h2-5,13H,6-10,15H2,1H3,(H,16,18);1H
InChIKeyMYUPYJNTEWOSHN-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]acetamide
CID 75515001

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride (CID 118025180) is N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CN2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The InChIKey is MYUPYJNTEWOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-11(18)16-14-4-2-12(3-5-14)10-17-8-6-13(15)7-9-17;/h2-5,13H,6-10,15H2,1H3,(H,16,18);1H.
What are the key properties of N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride?
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 118025180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).