2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H25Cl2N3O3 — CID 120794855

IUPAC2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)C1CCOCC1
InChIInChI=1S/C18H24ClN3O3.ClH/c19-13-4-1-2-6-15(13)22-9-3-5-14(18(22)24)21-17(23)16(20)12-7-10-25-11-8-12;/h1-2,4,6,12,14,16H,3,5,7-11,20H2,(H,21,23);1H
InChIKeyBYIMSGOOMXSNGG-UHFFFAOYSA-N
MW402.32 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120794855) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120794855
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC Name2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)C1CCOCC1
InChIInChI=1S/C18H24ClN3O3.ClH/c19-13-4-1-2-6-15(13)22-9-3-5-14(18(22)24)21-17(23)16(20)12-7-10-25-11-8-12;/h1-2,4,6,12,14,16H,3,5,7-11,20H2,(H,21,23);1H
InChIKeyBYIMSGOOMXSNGG-UHFFFAOYSA-N
XLogP2.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120793480
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119802816
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120794855) is 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCCN(c2ccccc2Cl)C1=O)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is BYIMSGOOMXSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3.ClH/c19-13-4-1-2-6-15(13)22-9-3-5-14(18(22)24)21-17(23)16(20)12-7-10-25-11-8-12;/h1-2,4,6,12,14,16H,3,5,7-11,20H2,(H,21,23);1H.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 402.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120794855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).