N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide

C23H28BrN3O4 — CID 55818550

IUPACN-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1OCC
InChIInChI=1S/C23H28BrN3O4/c1-3-13-31-19-7-5-17(14-20(19)30-4-2)23(29)27-11-9-16(10-12-27)22(28)26-21-8-6-18(24)15-25-21/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,25,26,28)
InChIKeyOTTPRANFXQVKKC-UHFFFAOYSA-N
MW490.40 g/mol
LogP4.52
Rot. Bonds8

About N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55818550) has the molecular formula C23H28BrN3O4 and a molecular weight of 490.40 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
PubChem CID55818550
Molecular FormulaC23H28BrN3O4
Molecular Weight490.40 g/mol
Exact Mass489.13
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1OCC
InChIInChI=1S/C23H28BrN3O4/c1-3-13-31-19-7-5-17(14-20(19)30-4-2)23(29)27-11-9-16(10-12-27)22(28)26-21-8-6-18(24)15-25-21/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,25,26,28)
InChIKeyOTTPRANFXQVKKC-UHFFFAOYSA-N
XLogP4.52
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
CID 48678587
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide (CID 55818550) is N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide is CCCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1OCC.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is OTTPRANFXQVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O4/c1-3-13-31-19-7-5-17(14-20(19)30-4-2)23(29)27-11-9-16(10-12-27)22(28)26-21-8-6-18(24)15-25-21/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,25,26,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 490.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55818550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).