1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C25H32N2O2 — CID 94013767

IUPAC1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2
InChIInChI=1S/C25H32N2O2/c1-18-9-10-23-21(15-18)22(16-25(2,3)29-23)26-24(28)20-11-13-27(14-12-20)17-19-7-5-4-6-8-19/h4-10,15,20,22H,11-14,16-17H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyWHYIGYGHYHAOQG-QFIPXVFZSA-N
MW392.54 g/mol
LogP4.63
Rot. Bonds4

About 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 94013767) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
PubChem CID94013767
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2
InChIInChI=1S/C25H32N2O2/c1-18-9-10-23-21(15-18)22(16-25(2,3)29-23)26-24(28)20-11-13-27(14-12-20)17-19-7-5-4-6-8-19/h4-10,15,20,22H,11-14,16-17H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyWHYIGYGHYHAOQG-QFIPXVFZSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013766
1-benzyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 46766192
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
1-[(4-chlorophenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013829
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013869
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 99970758
1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013819
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
1-(4-methoxyphenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167702
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656849

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 94013767) is 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3)CC1)CC(C)(C)O2.
What is the InChIKey of 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The InChIKey is WHYIGYGHYHAOQG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-9-10-23-21(15-18)22(16-25(2,3)29-23)26-24(28)20-11-13-27(14-12-20)17-19-7-5-4-6-8-19/h4-10,15,20,22H,11-14,16-17H2,1-3H3,(H,26,28)/t22-/m0/s1.
What are the key properties of 1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.63, 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)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94013767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).