(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone

C21H30N4O2 — CID 72932211

IUPAC(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c1-23(2)12-6-13-24-16-11-22-20(24)18-9-14-25(15-10-18)21(27)19(26)17-7-4-3-5-8-17/h3-5,7-8,11,16,18-19,26H,6,9-10,12-15H2,1-2H3/t19-/m0/s1
InChIKeyDLXCPFKTYVZJEK-IBGZPJMESA-N
MW370.50 g/mol
LogP2.27
Rot. Bonds7

About (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone

(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 72932211) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID72932211
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c1-23(2)12-6-13-24-16-11-22-20(24)18-9-14-25(15-10-18)21(27)19(26)17-7-4-3-5-8-17/h3-5,7-8,11,16,18-19,26H,6,9-10,12-15H2,1-2H3/t19-/m0/s1
InChIKeyDLXCPFKTYVZJEK-IBGZPJMESA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone (CID 72932211) is (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone is CN(C)CCCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is DLXCPFKTYVZJEK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(2)12-6-13-24-16-11-22-20(24)18-9-14-25(15-10-18)21(27)19(26)17-7-4-3-5-8-17/h3-5,7-8,11,16,18-19,26H,6,9-10,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone?
(2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 370.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 72932211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).