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

C19H30Cl3N3O2 — CID 120797287

IUPAC2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCOCC1
InChIInChI=1S/C19H28ClN3O2.2ClH/c20-16-3-1-14(2-4-16)13-23-9-5-17(6-10-23)22-19(24)18(21)15-7-11-25-12-8-15;;/h1-4,15,17-18H,5-13,21H2,(H,22,24);2*1H
InChIKeySVZAUARYSLSEBY-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.02
Rot. Bonds5

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

2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797287) has the molecular formula C19H30Cl3N3O2 and a molecular weight of 438.83 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797287
Molecular FormulaC19H30Cl3N3O2
Molecular Weight438.83 g/mol
Exact Mass437.14
IUPAC Name2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCOCC1
InChIInChI=1S/C19H28ClN3O2.2ClH/c20-16-3-1-14(2-4-16)13-23-9-5-17(6-10-23)22-19(24)18(21)15-7-11-25-12-8-15;;/h1-4,15,17-18H,5-13,21H2,(H,22,24);2*1H
InChIKeySVZAUARYSLSEBY-UHFFFAOYSA-N
XLogP3.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 120798427
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
CID 120800093
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide
CID 120797554
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493944
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797287) is 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is SVZAUARYSLSEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.2ClH/c20-16-3-1-14(2-4-16)13-23-9-5-17(6-10-23)22-19(24)18(21)15-7-11-25-12-8-15;;/h1-4,15,17-18H,5-13,21H2,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 438.83 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).