4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide

C20H29F2N3O2 — CID 58993953

IUPAC4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H29F2N3O2/c21-18-6-5-17(15-19(18)22)27-16-7-13-25(14-8-16)20(26)23-9-4-12-24-10-2-1-3-11-24/h5-6,15-16H,1-4,7-14H2,(H,23,26)
InChIKeyMKWPDYYDIKCORW-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.39
Rot. Bonds6

About 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide

4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 58993953) has the molecular formula C20H29F2N3O2 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide
PubChem CID58993953
Molecular FormulaC20H29F2N3O2
Molecular Weight381.47 g/mol
Exact Mass381.22
IUPAC Name4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H29F2N3O2/c21-18-6-5-17(15-19(18)22)27-16-7-13-25(14-8-16)20(26)23-9-4-12-24-10-2-1-3-11-24/h5-6,15-16H,1-4,7-14H2,(H,23,26)
InChIKeyMKWPDYYDIKCORW-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide (CID 58993953) is 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide is O=C(NCCCN1CCCCC1)N1CCC(Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is MKWPDYYDIKCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O2/c21-18-6-5-17(15-19(18)22)27-16-7-13-25(14-8-16)20(26)23-9-4-12-24-10-2-1-3-11-24/h5-6,15-16H,1-4,7-14H2,(H,23,26).
What are the key properties of 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 58993953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).