N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide

C22H21Cl2N3O2 — CID 42650272

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-5-3-14(10-19(18)24)12-26-21(28)17-2-1-9-27(13-17)22(29)16-4-6-20-15(11-16)7-8-25-20/h3-8,10-11,17,25H,1-2,9,12-13H2,(H,26,28)
InChIKeyYBQHSCWTXAOCFP-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.64
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 42650272) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
PubChem CID42650272
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-5-3-14(10-19(18)24)12-26-21(28)17-2-1-9-27(13-17)22(29)16-4-6-20-15(11-16)7-8-25-20/h3-8,10-11,17,25H,1-2,9,12-13H2,(H,26,28)
InChIKeyYBQHSCWTXAOCFP-UHFFFAOYSA-N
XLogP4.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(3,4-dichlorobenzoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 55795782
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41129492
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide (CID 42650272) is N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is YBQHSCWTXAOCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c23-18-5-3-14(10-19(18)24)12-26-21(28)17-2-1-9-27(13-17)22(29)16-4-6-20-15(11-16)7-8-25-20/h3-8,10-11,17,25H,1-2,9,12-13H2,(H,26,28).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).