N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide

C26H30N2O2 — CID 42394081

IUPACN-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)cc2)c1
InChIInChI=1S/C26H30N2O2/c1-18-4-2-5-21(16-18)19-6-8-22(9-7-19)27-24(29)20-10-14-28(15-11-20)25(30)23-17-26(23)12-3-13-26/h2,4-9,16,20,23H,3,10-15,17H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyAXBMWPSEHQZWPH-QHCPKHFHSA-N
MW402.54 g/mol
LogP5.03
Rot. Bonds4

About N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide

N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide (PubChem CID 42394081) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
PubChem CID42394081
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)cc2)c1
InChIInChI=1S/C26H30N2O2/c1-18-4-2-5-21(16-18)19-6-8-22(9-7-19)27-24(29)20-10-14-28(15-11-20)25(30)23-17-26(23)12-3-13-26/h2,4-9,16,20,23H,3,10-15,17H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyAXBMWPSEHQZWPH-QHCPKHFHSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
N-[4-(3-methylphenyl)phenyl]-1-(1,3-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 72919256
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125178178
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-[4-(3-methylphenyl)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42192300
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide (CID 42394081) is N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide is Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)cc2)c1.
What is the InChIKey of N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is AXBMWPSEHQZWPH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-18-4-2-5-21(16-18)19-6-8-22(9-7-19)27-24(29)20-10-14-28(15-11-20)25(30)23-17-26(23)12-3-13-26/h2,4-9,16,20,23H,3,10-15,17H2,1H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide?
N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42394081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).