N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide

C20H27FN2O3 — CID 127366432

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
SMILESO=C(CCC1CCOCC1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O3/c21-18-4-2-1-3-17(18)20(25)23-11-7-16(8-12-23)22-19(24)6-5-15-9-13-26-14-10-15/h1-4,15-16H,5-14H2,(H,22,24)
InChIKeyPFQQUUIGDOBPPD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide (PubChem CID 127366432) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
PubChem CID127366432
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
SMILESO=C(CCC1CCOCC1)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O3/c21-18-4-2-1-3-17(18)20(25)23-11-7-16(8-12-23)22-19(24)6-5-15-9-13-26-14-10-15/h1-4,15-16H,5-14H2,(H,22,24)
InChIKeyPFQQUUIGDOBPPD-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 91903819
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 119710946
2-bromo-5-fluoro-N-[3-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 55839305
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide (CID 127366432) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide is O=C(CCC1CCOCC1)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide?
The InChIKey is PFQQUUIGDOBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-18-4-2-1-3-17(18)20(25)23-11-7-16(8-12-23)22-19(24)6-5-15-9-13-26-14-10-15/h1-4,15-16H,5-14H2,(H,22,24).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 127366432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).