N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C17H18Cl2N4O — CID 139557346

IUPACN-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11(24)22-13-4-6-23(7-5-13)17-9-16(20-10-21-17)12-2-3-14(18)15(19)8-12/h2-3,8-10,13H,4-7H2,1H3,(H,22,24)
InChIKeyVNYGMVKBSTVMGM-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.56
Rot. Bonds3

About N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 139557346) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID139557346
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11(24)22-13-4-6-23(7-5-13)17-9-16(20-10-21-17)12-2-3-14(18)15(19)8-12/h2-3,8-10,13H,4-7H2,1H3,(H,22,24)
InChIKeyVNYGMVKBSTVMGM-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
4-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperazine-1,2-dicarboxylic acid
CID 123676211
[1-[6-[3-fluoro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 139557461
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
N-[(3R,4S)-3-fluoro-1-[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 158162102
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
1-[1-[6-(4-phenoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-3-phenylurea
CID 171350703
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
N-[1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidin-4-yl]acetamide
CID 24816077

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 139557346) is N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)CC1.
What is the InChIKey of N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is VNYGMVKBSTVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-11(24)22-13-4-6-23(7-5-13)17-9-16(20-10-21-17)12-2-3-14(18)15(19)8-12/h2-3,8-10,13H,4-7H2,1H3,(H,22,24).
What are the key properties of N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 365.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 139557346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).