(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one

C19H24N4O2 — CID 70734417

IUPAC(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-14(24)19(15-5-3-2-4-6-15)7-9-23(10-8-19)18(25)17(20)11-16-12-21-13-22-16/h2-6,12-13,17H,7-11,20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyYFWXEYDBLXFJQG-KRWDZBQOSA-N
MW340.43 g/mol
LogP1.43
Rot. Bonds5

About (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one

(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one (PubChem CID 70734417) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one
PubChem CID70734417
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-14(24)19(15-5-3-2-4-6-15)7-9-23(10-8-19)18(25)17(20)11-16-12-21-13-22-16/h2-6,12-13,17H,7-11,20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyYFWXEYDBLXFJQG-KRWDZBQOSA-N
XLogP1.43
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one (CID 70734417) is (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one is CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1.
What is the InChIKey of (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is YFWXEYDBLXFJQG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(24)19(15-5-3-2-4-6-15)7-9-23(10-8-19)18(25)17(20)11-16-12-21-13-22-16/h2-6,12-13,17H,7-11,20H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one?
(2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-3-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 70734417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).