N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide

C18H23N5O3 — CID 91830232

IUPACN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H23N5O3/c1-13(24)22-17(9-14-10-20-12-21-14)18(25)23-7-4-15(5-8-23)26-16-3-2-6-19-11-16/h2-3,6,10-12,15,17H,4-5,7-9H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1
InChIKeyGYJIRKOOVIEFAQ-KRWDZBQOSA-N
MW357.41 g/mol
LogP0.92
Rot. Bonds6

About N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide (PubChem CID 91830232) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide
PubChem CID91830232
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H23N5O3/c1-13(24)22-17(9-14-10-20-12-21-14)18(25)23-7-4-15(5-8-23)26-16-3-2-6-19-11-16/h2-3,6,10-12,15,17H,4-5,7-9H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1
InChIKeyGYJIRKOOVIEFAQ-KRWDZBQOSA-N
XLogP0.92
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 90647724
N-[(2R)-1-[4-[1-(1H-benzimidazole-4-carbonyl)piperidin-4-yl]oxypiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
CID 171683325
N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
CID 118762858
N-[(2S)-1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
CID 118791022
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
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CID 21303292
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
CID 30051636
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
imidazol-1-yl (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 175041384

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide (CID 91830232) is N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide?
The InChIKey is GYJIRKOOVIEFAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13(24)22-17(9-14-10-20-12-21-14)18(25)23-7-4-15(5-8-23)26-16-3-2-6-19-11-16/h2-3,6,10-12,15,17H,4-5,7-9H2,1H3,(H,20,21)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide?
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 91830232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).