1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C20H20BrClN4O3 — CID 55815420

IUPAC1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H20BrClN4O3/c21-15-3-1-2-14(10-15)19(28)24-12-18(27)26-8-6-13(7-9-26)20(29)25-17-5-4-16(22)11-23-17/h1-5,10-11,13H,6-9,12H2,(H,24,28)(H,23,25,29)
InChIKeyCXCZFJMDRYCJCJ-UHFFFAOYSA-N
MW479.76 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55815420) has the molecular formula C20H20BrClN4O3 and a molecular weight of 479.76 g/mol. Its IUPAC name is 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55815420
Molecular FormulaC20H20BrClN4O3
Molecular Weight479.76 g/mol
Exact Mass478.04
IUPAC Name1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1cccc(Br)c1
InChIInChI=1S/C20H20BrClN4O3/c21-15-3-1-2-14(10-15)19(28)24-12-18(27)26-8-6-13(7-9-26)20(29)25-17-5-4-16(22)11-23-17/h1-5,10-11,13H,6-9,12H2,(H,24,28)(H,23,25,29)
InChIKeyCXCZFJMDRYCJCJ-UHFFFAOYSA-N
XLogP3.10
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55923899
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
CID 55860378
3-bromo-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]benzamide
CID 106671871
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
3-bromo-N-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 115966188

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55815420) is 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)c1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CXCZFJMDRYCJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN4O3/c21-15-3-1-2-14(10-15)19(28)24-12-18(27)26-8-6-13(7-9-26)20(29)25-17-5-4-16(22)11-23-17/h1-5,10-11,13H,6-9,12H2,(H,24,28)(H,23,25,29).
What are the key properties of 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 479.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromobenzoyl)amino]acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55815420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).