1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide

C19H28FN3O2 — CID 10807729

IUPAC1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(2)22-19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,21,25)
InChIKeyDQWLSHWCPUSFFO-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.11
Rot. Bonds8

About 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide

1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide (PubChem CID 10807729) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
PubChem CID10807729
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide
SMILESCC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(2)22-19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,21,25)
InChIKeyDQWLSHWCPUSFFO-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide (CID 10807729) is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide is CC(C)NC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
The InChIKey is DQWLSHWCPUSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(2)22-19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8,14,22H,3-4,9-13H2,1-2H3,(H2,21,25).
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide?
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(propan-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 10807729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).