1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide

C22H25ClN2O2 — CID 95279883

IUPAC1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCOc2c(Cl)cccc21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c23-19-8-4-7-18-20(11-14-27-21(18)19)24-22(26)17-9-12-25(13-10-17)15-16-5-2-1-3-6-16/h1-8,17,20H,9-15H2,(H,24,26)/t20-/m0/s1
InChIKeyZUYDLVCWHQLQJD-FQEVSTJZSA-N
MW384.91 g/mol
LogP4.19
Rot. Bonds4

About 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide

1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide (PubChem CID 95279883) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
PubChem CID95279883
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCOc2c(Cl)cccc21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c23-19-8-4-7-18-20(11-14-27-21(18)19)24-22(26)17-9-12-25(13-10-17)15-16-5-2-1-3-6-16/h1-8,17,20H,9-15H2,(H,24,26)/t20-/m0/s1
InChIKeyZUYDLVCWHQLQJD-FQEVSTJZSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94660912
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119950489
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
CID 99795973
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 119301900
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133187450

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide (CID 95279883) is 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide is O=C(N[C@H]1CCOc2c(Cl)cccc21)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide?
The InChIKey is ZUYDLVCWHQLQJD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-19-8-4-7-18-20(11-14-27-21(18)19)24-22(26)17-9-12-25(13-10-17)15-16-5-2-1-3-6-16/h1-8,17,20H,9-15H2,(H,24,26)/t20-/m0/s1.
What are the key properties of 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide?
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95279883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).