2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride

C15H24Cl3N3O — CID 119879595

IUPAC2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O.2ClH/c16-14-4-2-1-3-13(14)11-19-7-5-12(6-8-19)10-18-15(20)9-17;;/h1-4,12H,5-11,17H2,(H,18,20);2*1H
InChIKeyPPJXQLAYXPAVOO-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride

2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 119879595) has the molecular formula C15H24Cl3N3O and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
PubChem CID119879595
Molecular FormulaC15H24Cl3N3O
Molecular Weight368.74 g/mol
Exact Mass367.10
IUPAC Name2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O.2ClH/c16-14-4-2-1-3-13(14)11-19-7-5-12(6-8-19)10-18-15(20)9-17;;/h1-4,12H,5-11,17H2,(H,18,20);2*1H
InChIKeyPPJXQLAYXPAVOO-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride (CID 119879595) is 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is PPJXQLAYXPAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.2ClH/c16-14-4-2-1-3-13(14)11-19-7-5-12(6-8-19)10-18-15(20)9-17;;/h1-4,12H,5-11,17H2,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride?
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 368.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119879595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).