1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide

C28H41N5O2 — CID 142229142

IUPAC1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CCC(CCCc3nc(N(C)C)c4ccccc4n3)CC2)CC1
InChIInChI=1S/C28H41N5O2/c1-20(34)33-17-15-23(16-18-33)28(35)29-19-22-13-11-21(12-14-22)7-6-10-26-30-25-9-5-4-8-24(25)27(31-26)32(2)3/h4-5,8-9,21-23H,6-7,10-19H2,1-3H3,(H,29,35)
InChIKeyYEMXSRHFBDQDTE-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.20
Rot. Bonds8

About 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide (PubChem CID 142229142) has the molecular formula C28H41N5O2 and a molecular weight of 479.67 g/mol. Its IUPAC name is 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
PubChem CID142229142
Molecular FormulaC28H41N5O2
Molecular Weight479.67 g/mol
Exact Mass479.33
IUPAC Name1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC2CCC(CCCc3nc(N(C)C)c4ccccc4n3)CC2)CC1
InChIInChI=1S/C28H41N5O2/c1-20(34)33-17-15-23(16-18-33)28(35)29-19-22-13-11-21(12-14-22)7-6-10-26-30-25-9-5-4-8-24(25)27(31-26)32(2)3/h4-5,8-9,21-23H,6-7,10-19H2,1-3H3,(H,29,35)
InChIKeyYEMXSRHFBDQDTE-UHFFFAOYSA-N
XLogP4.20
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[2-[2-[4-(dimethylamino)quinazolin-2-yl]ethyl]spiro[2.5]octan-6-yl]methyl]cyclohexanecarboxamide
CID 142228420
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208
1-[2-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]cyclopropyl]-2-(2-iodophenyl)ethanone
CID 142229933
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162337569
1-[2-[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]cyclobutyl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 142229958
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide (CID 142229142) is 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC2CCC(CCCc3nc(N(C)C)c4ccccc4n3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide?
The InChIKey is YEMXSRHFBDQDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O2/c1-20(34)33-17-15-23(16-18-33)28(35)29-19-22-13-11-21(12-14-22)7-6-10-26-30-25-9-5-4-8-24(25)27(31-26)32(2)3/h4-5,8-9,21-23H,6-7,10-19H2,1-3H3,(H,29,35).
What are the key properties of 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 142229142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).