N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide

C15H22FN3O — CID 60819629

IUPACN-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-9-17-13-7-10-19(11-8-13)15(20)18-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyQNSBIHNNYXLMEK-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds4

About N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide

N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide (PubChem CID 60819629) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
PubChem CID60819629
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-9-17-13-7-10-19(11-8-13)15(20)18-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyQNSBIHNNYXLMEK-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide (CID 60819629) is N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide is CCCNC1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide?
The InChIKey is QNSBIHNNYXLMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-9-17-13-7-10-19(11-8-13)15(20)18-14-5-3-12(16)4-6-14/h3-6,13,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide is sourced from PubChem (CID 60819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).