N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide

C19H25F2N3O2 — CID 91837190

IUPACN-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1C(=O)N1CCCCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O2/c20-14-6-7-15(21)16(13-14)22-18(25)8-12-23-11-4-5-17(23)19(26)24-9-2-1-3-10-24/h6-7,13,17H,1-5,8-12H2,(H,22,25)/t17-/m0/s1
InChIKeyWFHXDENGKQHVSY-KRWDZBQOSA-N
MW365.42 g/mol
LogP2.77
Rot. Bonds5

About N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide

N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide (PubChem CID 91837190) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
PubChem CID91837190
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC NameN-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1C(=O)N1CCCCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O2/c20-14-6-7-15(21)16(13-14)22-18(25)8-12-23-11-4-5-17(23)19(26)24-9-2-1-3-10-24/h6-7,13,17H,1-5,8-12H2,(H,22,25)/t17-/m0/s1
InChIKeyWFHXDENGKQHVSY-KRWDZBQOSA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
CID 124754915
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328
3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 91841794
N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(2-amino-4-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124962
N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 95143189
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
1-[3-(2,5-difluoroanilino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50959049

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide (CID 91837190) is N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC[C@H]1C(=O)N1CCCCC1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide?
The InChIKey is WFHXDENGKQHVSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c20-14-6-7-15(21)16(13-14)22-18(25)8-12-23-11-4-5-17(23)19(26)24-9-2-1-3-10-24/h6-7,13,17H,1-5,8-12H2,(H,22,25)/t17-/m0/s1.
What are the key properties of N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide has a molecular weight of 365.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 91837190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).