(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide

C19H25FN4O — CID 97064291

IUPAC(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)n1cccc1
InChIInChI=1S/C19H25FN4O/c1-16(23-9-2-3-10-23)19(25)21-8-11-22-12-14-24(15-13-22)18-6-4-17(20)5-7-18/h2-7,9-10,16H,8,11-15H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyQNUUUHSMYAKQRB-MRXNPFEDSA-N
MW344.43 g/mol
LogP2.13
Rot. Bonds6

About (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide

(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide (PubChem CID 97064291) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
PubChem CID97064291
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@H](C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)n1cccc1
InChIInChI=1S/C19H25FN4O/c1-16(23-9-2-3-10-23)19(25)21-8-11-22-12-14-24(15-13-22)18-6-4-17(20)5-7-18/h2-7,9-10,16H,8,11-15H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyQNUUUHSMYAKQRB-MRXNPFEDSA-N
XLogP2.13
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119448078
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide (CID 97064291) is (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide is C[C@H](C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)n1cccc1.
What is the InChIKey of (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide?
The InChIKey is QNUUUHSMYAKQRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-16(23-9-2-3-10-23)19(25)21-8-11-22-12-14-24(15-13-22)18-6-4-17(20)5-7-18/h2-7,9-10,16H,8,11-15H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide?
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide has a molecular weight of 344.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 97064291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).