N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide

C18H27N3O2 — CID 60608501

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-3-9-17(22)19-11-10-18(23)21-14-12-20(13-15-21)16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H,19,22)
InChIKeyMNSFVRFJCGPUQW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.03
Rot. Bonds7

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide (PubChem CID 60608501) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
PubChem CID60608501
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-2-3-9-17(22)19-11-10-18(23)21-14-12-20(13-15-21)16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H,19,22)
InChIKeyMNSFVRFJCGPUQW-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
2-hexyl-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111092108
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
1-amino-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119870682
2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 119885899

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide (CID 60608501) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide is CCCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is MNSFVRFJCGPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-3-9-17(22)19-11-10-18(23)21-14-12-20(13-15-21)16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H,19,22).
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 317.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 60608501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).