1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

C21H28FN3O3 — CID 87024437

IUPAC1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H28FN3O3/c1-2-3-19(26)23-10-8-17(9-11-23)21(28)25-14-12-24(13-15-25)20(27)16-4-6-18(22)7-5-16/h4-7,17H,2-3,8-15H2,1H3
InChIKeyQNHHBFVWJMIYMF-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 87024437) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID87024437
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H28FN3O3/c1-2-3-19(26)23-10-8-17(9-11-23)21(28)25-14-12-24(13-15-25)20(27)16-4-6-18(22)7-5-16/h4-7,17H,2-3,8-15H2,1H3
InChIKeyQNHHBFVWJMIYMF-UHFFFAOYSA-N
XLogP2.15
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
CID 87010279
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 87024437) is 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is QNHHBFVWJMIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-2-3-19(26)23-10-8-17(9-11-23)21(28)25-14-12-24(13-15-25)20(27)16-4-6-18(22)7-5-16/h4-7,17H,2-3,8-15H2,1H3.
What are the key properties of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 389.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 87024437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).