2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide

C14H17BrN4O — CID 75454004

IUPAC2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
SMILESN#Cc1cc(Br)ccc1NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H17BrN4O/c15-11-1-2-13(10(7-11)8-16)18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,9H2,(H2,17,20)
InChIKeyXQEHVFAUZQZJDP-UHFFFAOYSA-N
MW337.22 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide

2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide (PubChem CID 75454004) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
PubChem CID75454004
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
SMILESN#Cc1cc(Br)ccc1NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H17BrN4O/c15-11-1-2-13(10(7-11)8-16)18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,9H2,(H2,17,20)
InChIKeyXQEHVFAUZQZJDP-UHFFFAOYSA-N
XLogP1.68
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]benzonitrile
CID 97350219
tert-butyl 4-(4-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 67188470
4-bromo-2-[[1-(cyanomethyl)piperidin-4-yl]amino]benzonitrile
CID 114901231
2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 60726886
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
CID 81298064
5-bromo-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817827
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
CID 43790302
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358
(4-bromo-2-cyanophenyl)urea
CID 82708837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide (CID 75454004) is 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide is N#Cc1cc(Br)ccc1NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide?
The InChIKey is XQEHVFAUZQZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-11-1-2-13(10(7-11)8-16)18-12-3-5-19(6-4-12)9-14(17)20/h1-2,7,12,18H,3-6,9H2,(H2,17,20).
What are the key properties of 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide?
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide has a molecular weight of 337.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide is sourced from PubChem (CID 75454004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).