[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

C19H25N3O2 — CID 100627414

IUPAC[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C)C1
InChIInChI=1S/C19H25N3O2/c1-14-12-21(13-15(2)23)10-11-22(14)19(24)18-9-8-17(20-18)16-6-4-3-5-7-16/h3-9,14-15,20,23H,10-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCCQRXFNJYCDKLR-CABCVRRESA-N
MW327.43 g/mol
LogP2.21
Rot. Bonds4

About [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone

[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (PubChem CID 100627414) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
PubChem CID100627414
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C)C1
InChIInChI=1S/C19H25N3O2/c1-14-12-21(13-15(2)23)10-11-22(14)19(24)18-9-8-17(20-18)16-6-4-3-5-7-16/h3-9,14-15,20,23H,10-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCCQRXFNJYCDKLR-CABCVRRESA-N
XLogP2.21
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Delanzomib
CID 24800541
1-(4-Methoxybutyl)-N-(2-Methylpropyl)-N-[(3s,5r)-5-(Morpholine-4-Carbonyl)piperidin-3-Yl]-5-Phenyl-1h-Pyrrole-2-Carboxamide
CID 58355693
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
[4-(2-Hydroxyethyl)piperidin-1-Yl](5-Methyl-1h-Indol-2-Yl)methanone
CID 59529932
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide
CID 132167406
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide
CID 117902083
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(4-ethylpiperazin-1-yl)(1H-indol-2-yl)methanone
CID 11821243

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone (CID 100627414) is [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is C[C@H](O)CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C)C1.
What is the InChIKey of [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
The InChIKey is CCQRXFNJYCDKLR-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-12-21(13-15(2)23)10-11-22(14)19(24)18-9-8-17(20-18)16-6-4-3-5-7-16/h3-9,14-15,20,23H,10-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone?
[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 100627414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).