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

C16H22N6O2 — CID 90647724

IUPACN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H22N6O2/c1-11(23)20-15(8-13-9-17-10-18-13)16(24)22-6-3-12(4-7-22)14-2-5-19-21-14/h2,5,9-10,12,15H,3-4,6-8H2,1H3,(H,17,18)(H,19,21)(H,20,23)/t15-/m0/s1
InChIKeyPHWZLNYTPSLGHH-HNNXBMFYSA-N
MW330.39 g/mol
LogP0.59
Rot. Bonds5

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

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide (PubChem CID 90647724) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
PubChem CID90647724
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H22N6O2/c1-11(23)20-15(8-13-9-17-10-18-13)16(24)22-6-3-12(4-7-22)14-2-5-19-21-14/h2,5,9-10,12,15H,3-4,6-8H2,1H3,(H,17,18)(H,19,21)(H,20,23)/t15-/m0/s1
InChIKeyPHWZLNYTPSLGHH-HNNXBMFYSA-N
XLogP0.59
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide
CID 91830232
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
3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
CID 126782517
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
N-[(2S)-1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]acetamide
CID 118791022
imidazol-1-yl (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 175041384
N-[(2R)-1-[(3R)-3-acetylpiperidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-amino-3-methylbutanamide
CID 139496516
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62944009
(2S)-2-acetamido-3-(1H-imidazol-5-yl)-N-[(2S)-1-(6-methyl-2-methylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]propanamide
CID 142167742
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylazepane-1-carbonyl)amino]propanoic acid
CID 104895227
1-[2-(1H-imidazol-5-yl)ethyl]-3-[3-(4-methoxyphenyl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]urea
CID 46195446
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895317

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide (CID 90647724) is N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is PHWZLNYTPSLGHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(23)20-15(8-13-9-17-10-18-13)16(24)22-6-3-12(4-7-22)14-2-5-19-21-14/h2,5,9-10,12,15H,3-4,6-8H2,1H3,(H,17,18)(H,19,21)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide?
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 90647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).