1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide

C26H33ClN2O2 — CID 133187450

IUPAC1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C26H33ClN2O2/c1-3-26(4-2)17-23(22-7-5-6-8-24(22)31-26)28-25(30)20-13-15-29(16-14-20)18-19-9-11-21(27)12-10-19/h5-12,20,23H,3-4,13-18H2,1-2H3,(H,28,30)
InChIKeyGSNAZFNFBZRYSK-UHFFFAOYSA-N
MW441.02 g/mol
LogP5.75
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide (PubChem CID 133187450) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
PubChem CID133187450
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1
InChIInChI=1S/C26H33ClN2O2/c1-3-26(4-2)17-23(22-7-5-6-8-24(22)31-26)28-25(30)20-13-15-29(16-14-20)18-19-9-11-21(27)12-10-19/h5-12,20,23H,3-4,13-18H2,1-2H3,(H,28,30)
InChIKeyGSNAZFNFBZRYSK-UHFFFAOYSA-N
XLogP5.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133235478
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)cyclohexanecarboxamide
CID 133256868
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100717605
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 125064652
1-[(4-chlorophenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013829
1-[(4-bromophenyl)methylsulfonyl]-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100723976
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]pyrrolidine-2-carboxamide
CID 100760698
1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]urea
CID 100690269

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide (CID 133187450) is 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide is CCC1(CC)CC(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The InChIKey is GSNAZFNFBZRYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-3-26(4-2)17-23(22-7-5-6-8-24(22)31-26)28-25(30)20-13-15-29(16-14-20)18-19-9-11-21(27)12-10-19/h5-12,20,23H,3-4,13-18H2,1-2H3,(H,28,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide has a molecular weight of 441.02 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133187450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).