cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide

C24H37N3O3 — CID 131920797

IUPACcis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)26-23(29)21-8-6-5-7-20(21)22(28)25-17-9-11-18(12-10-17)30-19-13-15-27(4)16-14-19/h9-12,19-21H,5-8,13-16H2,1-4H3,(H,25,28)(H,26,29)/t20-,21+/m0/s1
InChIKeyIONMRLYPEBKZRD-LEWJYISDSA-N
MW415.58 g/mol
LogP3.82
Rot. Bonds5

About cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide (PubChem CID 131920797) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
PubChem CID131920797
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Namecis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)26-23(29)21-8-6-5-7-20(21)22(28)25-17-9-11-18(12-10-17)30-19-13-15-27(4)16-14-19/h9-12,19-21H,5-8,13-16H2,1-4H3,(H,25,28)(H,26,29)/t20-,21+/m0/s1
InChIKeyIONMRLYPEBKZRD-LEWJYISDSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119187
2-amino-N-(4-cyclopentyloxyphenyl)cyclopentane-1-carboxamide
CID 64824128
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(2H-tetrazol-5-yloxy)phenyl]cyclohexane-1,2-dicarboxamide
CID 131921400
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
(3R)-1-(4-methylphenyl)sulfonyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]piperidine-3-carboxamide
CID 100666928
2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131915345
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154912274
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide (CID 131920797) is cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide is CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is IONMRLYPEBKZRD-LEWJYISDSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-24(2,3)26-23(29)21-8-6-5-7-20(21)22(28)25-17-9-11-18(12-10-17)30-19-13-15-27(4)16-14-19/h9-12,19-21H,5-8,13-16H2,1-4H3,(H,25,28)(H,26,29)/t20-,21+/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 415.58 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 131920797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).