acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide

C24H34N4O5 — CID 163333548

IUPACacetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCC(=O)O.CC(=O)O.NC(=O)c1cc(N2CCC(C3CCNCC3)CC2)nc2ccccc12
InChIInChI=1S/C20H26N4O.2C2H4O2/c21-20(25)17-13-19(23-18-4-2-1-3-16(17)18)24-11-7-15(8-12-24)14-5-9-22-10-6-14;2*1-2(3)4/h1-4,13-15,22H,5-12H2,(H2,21,25);2*1H3,(H,3,4)
InChIKeyBQBXCLMDNGRDTD-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.73
Rot. Bonds3

About acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide

acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 163333548) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Nameacetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID163333548
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Nameacetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCC(=O)O.CC(=O)O.NC(=O)c1cc(N2CCC(C3CCNCC3)CC2)nc2ccccc12
InChIInChI=1S/C20H26N4O.2C2H4O2/c21-20(25)17-13-19(23-18-4-2-1-3-16(17)18)24-11-7-15(8-12-24)14-5-9-22-10-6-14;2*1-2(3)4/h1-4,13-15,22H,5-12H2,(H2,21,25);2*1H3,(H,3,4)
InChIKeyBQBXCLMDNGRDTD-UHFFFAOYSA-N
XLogP2.73
TPSA145.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 65463226
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
CID 146041384
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
CID 154888897
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide (CID 163333548) is acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide is CC(=O)O.CC(=O)O.NC(=O)c1cc(N2CCC(C3CCNCC3)CC2)nc2ccccc12.
What is the InChIKey of acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is BQBXCLMDNGRDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2C2H4O2/c21-20(25)17-13-19(23-18-4-2-1-3-16(17)18)24-11-7-15(8-12-24)14-5-9-22-10-6-14;2*1-2(3)4/h1-4,13-15,22H,5-12H2,(H2,21,25);2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide?
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 2.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 163333548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).