N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide

C19H22FN5O2 — CID 126791623

IUPACN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-27-17-6-7-21-18(23-17)24-8-10-25(11-9-24)19(26)22-16-12-15(16)13-2-4-14(20)5-3-13/h2-7,15-16H,8-12H2,1H3,(H,22,26)/t15-,16+/m0/s1
InChIKeyHRXLOBKYIYWUSH-JKSUJKDBSA-N
MW371.42 g/mol
LogP2.01
Rot. Bonds4

About N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide

N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide (PubChem CID 126791623) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
PubChem CID126791623
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-27-17-6-7-21-18(23-17)24-8-10-25(11-9-24)19(26)22-16-12-15(16)13-2-4-14(20)5-3-13/h2-7,15-16H,8-12H2,1H3,(H,22,26)/t15-,16+/m0/s1
InChIKeyHRXLOBKYIYWUSH-JKSUJKDBSA-N
XLogP2.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)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-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
4-(4-methoxypyrimidin-2-yl)-N-[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperazine-1-carboxamide
CID 126444796
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 86967389
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 56826138
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590798
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide
CID 97092884

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide (CID 126791623) is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide?
The InChIKey is HRXLOBKYIYWUSH-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-27-17-6-7-21-18(23-17)24-8-10-25(11-9-24)19(26)22-16-12-15(16)13-2-4-14(20)5-3-13/h2-7,15-16H,8-12H2,1H3,(H,22,26)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide?
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126791623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).