N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

C26H32ClN3O — CID 50807667

IUPACN-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O/c1-3-19(2)28-26(31)20-12-14-29(15-13-20)18-23-16-21-8-5-7-11-25(21)30(23)17-22-9-4-6-10-24(22)27/h4-11,16,19-20H,3,12-15,17-18H2,1-2H3,(H,28,31)
InChIKeyBVEZEEDTQLRNPP-UHFFFAOYSA-N
MW438.02 g/mol
LogP5.47
Rot. Bonds7

About N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 50807667) has the molecular formula C26H32ClN3O and a molecular weight of 438.02 g/mol. Its IUPAC name is N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID50807667
Molecular FormulaC26H32ClN3O
Molecular Weight438.02 g/mol
Exact Mass437.22
IUPAC NameN-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O/c1-3-19(2)28-26(31)20-12-14-29(15-13-20)18-23-16-21-8-5-7-11-25(21)30(23)17-22-9-4-6-10-24(22)27/h4-11,16,19-20H,3,12-15,17-18H2,1-2H3,(H,28,31)
InChIKeyBVEZEEDTQLRNPP-UHFFFAOYSA-N
XLogP5.47
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.02
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 50807763
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807813
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50807526
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide
CID 22585874
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 50807667) is N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BVEZEEDTQLRNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O/c1-3-19(2)28-26(31)20-12-14-29(15-13-20)18-23-16-21-8-5-7-11-25(21)30(23)17-22-9-4-6-10-24(22)27/h4-11,16,19-20H,3,12-15,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 438.02 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).