N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide

C20H28FN3O2 — CID 48509510

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)C1CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(2)18-8-5-11-24(18)20(26)22-15-9-12-23(13-10-15)19(25)16-6-3-4-7-17(16)21/h3-4,6-7,14-15,18H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyNCKWRQYRZRWFBX-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 48509510) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID48509510
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)C1CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c1-14(2)18-8-5-11-24(18)20(26)22-15-9-12-23(13-10-15)19(25)16-6-3-4-7-17(16)21/h3-4,6-7,14-15,18H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyNCKWRQYRZRWFBX-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
(2S)-2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methylpentanamide;hydrochloride
CID 119710991
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
2-(4-chlorophenoxy)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 55703255
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
CID 55710997
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide (CID 48509510) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide is CC(C)C1CCCN1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is NCKWRQYRZRWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14(2)18-8-5-11-24(18)20(26)22-15-9-12-23(13-10-15)19(25)16-6-3-4-7-17(16)21/h3-4,6-7,14-15,18H,5,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 48509510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).