N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide

C15H21BrClN3O — CID 163357365

IUPACN-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C15H21BrClN3O/c1-15(2,3)14(21)19-11-5-4-6-20(9-11)13-12(16)7-10(17)8-18-13/h7-8,11H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyLAXGXPNFZWXIBT-UHFFFAOYSA-N
MW374.71 g/mol
LogP3.63
Rot. Bonds2

About N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 163357365) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID163357365
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC NameN-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C15H21BrClN3O/c1-15(2,3)14(21)19-11-5-4-6-20(9-11)13-12(16)7-10(17)8-18-13/h7-8,11H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyLAXGXPNFZWXIBT-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide
CID 171505485
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
CID 163356401
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 163357365) is N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is LAXGXPNFZWXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c1-15(2,3)14(21)19-11-5-4-6-20(9-11)13-12(16)7-10(17)8-18-13/h7-8,11H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 374.71 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163357365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).