N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide

C21H32BrN3O — CID 143229447

IUPACN-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
SMILESCc1cnc(N2CCCC(CCCN(C=O)C3CCCCC3)C2)c(Br)c1
InChIInChI=1S/C21H32BrN3O/c1-17-13-20(22)21(23-14-17)24-11-5-7-18(15-24)8-6-12-25(16-26)19-9-3-2-4-10-19/h13-14,16,18-19H,2-12,15H2,1H3
InChIKeyDJFLCHMZWHGTPQ-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.94
Rot. Bonds7

About N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide

N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide (PubChem CID 143229447) has the molecular formula C21H32BrN3O and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide.

Molecular Properties

Compound NameN-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
PubChem CID143229447
Molecular FormulaC21H32BrN3O
Molecular Weight422.41 g/mol
Exact Mass421.17
IUPAC NameN-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
SMILESCc1cnc(N2CCCC(CCCN(C=O)C3CCCCC3)C2)c(Br)c1
InChIInChI=1S/C21H32BrN3O/c1-17-13-20(22)21(23-14-17)24-11-5-7-18(15-24)8-6-12-25(16-26)19-9-3-2-4-10-19/h13-14,16,18-19H,2-12,15H2,1H3
InChIKeyDJFLCHMZWHGTPQ-UHFFFAOYSA-N
XLogP4.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol
CID 143229497
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate
CID 143229726
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
CID 143229820

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide?
The IUPAC name of N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide (CID 143229447) is N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide.
What is the SMILES notation for N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide?
The canonical SMILES for N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide is Cc1cnc(N2CCCC(CCCN(C=O)C3CCCCC3)C2)c(Br)c1.
What is the InChIKey of N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide?
The InChIKey is DJFLCHMZWHGTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BrN3O/c1-17-13-20(22)21(23-14-17)24-11-5-7-18(15-24)8-6-12-25(16-26)19-9-3-2-4-10-19/h13-14,16,18-19H,2-12,15H2,1H3.
What are the key properties of N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide?
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide has a molecular weight of 422.41 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide is sourced from PubChem (CID 143229447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).