[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

C20H28FN3O2 — CID 119516771

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(22)15-8-11-23(12-9-15)20(26)17-3-2-10-24(13-17)19(25)16-4-6-18(21)7-5-16/h4-7,14-15,17H,2-3,8-13,22H2,1H3
InChIKeyDFISIGLUKHHOLJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.26
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 119516771) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID119516771
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(22)15-8-11-23(12-9-15)20(26)17-3-2-10-24(13-17)19(25)16-4-6-18(21)7-5-16/h4-7,14-15,17H,2-3,8-13,22H2,1H3
InChIKeyDFISIGLUKHHOLJ-UHFFFAOYSA-N
XLogP2.26
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone (CID 119516771) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is CC(N)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is DFISIGLUKHHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14(22)15-8-11-23(12-9-15)20(26)17-3-2-10-24(13-17)19(25)16-4-6-18(21)7-5-16/h4-7,14-15,17H,2-3,8-13,22H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 361.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119516771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).