N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide

C22H28N4O2 — CID 120994616

IUPACN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N4O2/c27-21(26-12-8-20(16-26)25-13-10-23-11-14-25)7-9-24-22(28)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15,20,23H,7-14,16H2,(H,24,28)
InChIKeyGYQHIYSCQJHKCK-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.47
Rot. Bonds5

About N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide

N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide (PubChem CID 120994616) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
PubChem CID120994616
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N4O2/c27-21(26-12-8-20(16-26)25-13-10-23-11-14-25)7-9-24-22(28)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15,20,23H,7-14,16H2,(H,24,28)
InChIKeyGYQHIYSCQJHKCK-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]thiophene-2-carboxamide;hydrochloride
CID 120998048
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
CID 126577362
4-methyl-4-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 120994951

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide (CID 120994616) is N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N1CCC(N2CCNCC2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide?
The InChIKey is GYQHIYSCQJHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(26-12-8-20(16-26)25-13-10-23-11-14-25)7-9-24-22(28)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15,20,23H,7-14,16H2,(H,24,28).
What are the key properties of N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 120994616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).