N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide

C19H22FN3OS — CID 56808058

IUPACN-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C19H22FN3OS/c20-17-4-2-1-3-16(17)18-8-7-15(25-18)13-22-9-11-23(12-10-22)19(24)21-14-5-6-14/h1-4,7-8,14H,5-6,9-13H2,(H,21,24)
InChIKeyHRTNLAYVVCIMFI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.54
Rot. Bonds4

About N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide

N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 56808058) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
PubChem CID56808058
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C19H22FN3OS/c20-17-4-2-1-3-16(17)18-8-7-15(25-18)13-22-9-11-23(12-10-22)19(24)21-14-5-6-14/h1-4,7-8,14H,5-6,9-13H2,(H,21,24)
InChIKeyHRTNLAYVVCIMFI-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 39229801
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119854290
(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693
1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110022563
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine
CID 97254929
4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide
CID 112838018

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide (CID 56808058) is N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide is O=C(NC1CC1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is HRTNLAYVVCIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c20-17-4-2-1-3-16(17)18-8-7-15(25-18)13-22-9-11-23(12-10-22)19(24)21-14-5-6-14/h1-4,7-8,14H,5-6,9-13H2,(H,21,24).
What are the key properties of N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 56808058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).