(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide

C25H35N5O4 — CID 54052872

IUPAC(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1[nH]c(=O)n(Cc2ccccc2)c1O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C25H35N5O4/c31-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(17-29)23(32)27-15-21-24(33)30(25(34)28-21)16-19-5-2-1-3-6-19/h1-3,5-6,18,20,26,33H,4,7-17H2,(H,27,32)(H,28,34)/t20-/m1/s1
InChIKeyLUDZBZYBJKSRFF-HXUWFJFHSA-N
MW469.59 g/mol
LogP1.56
Rot. Bonds8

About (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide

(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide (PubChem CID 54052872) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide
PubChem CID54052872
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide
SMILESO=C(NCc1[nH]c(=O)n(Cc2ccccc2)c1O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C25H35N5O4/c31-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(17-29)23(32)27-15-21-24(33)30(25(34)28-21)16-19-5-2-1-3-6-19/h1-3,5-6,18,20,26,33H,4,7-17H2,(H,27,32)(H,28,34)/t20-/m1/s1
InChIKeyLUDZBZYBJKSRFF-HXUWFJFHSA-N
XLogP1.56
TPSA119.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 70110829
2-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]benzoic acid
CID 22466251
(2S)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid
CID 18734728
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
(2S)-2-amino-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 58942662
1-(3-piperidin-4-ylpropanoyl)-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 15887960
ethyl (3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoate;2,2,2-trifluoroacetic acid
CID 70112276
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-3-(cyclohexanecarbonylamino)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 23533823
(2R)-4-(4-methoxyphenyl)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]butanoic acid
CID 70110646
3-methyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 70094312
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide (CID 54052872) is (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide is O=C(NCc1[nH]c(=O)n(Cc2ccccc2)c1O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide?
The InChIKey is LUDZBZYBJKSRFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N5O4/c31-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(17-29)23(32)27-15-21-24(33)30(25(34)28-21)16-19-5-2-1-3-6-19/h1-3,5-6,18,20,26,33H,4,7-17H2,(H,27,32)(H,28,34)/t20-/m1/s1.
What are the key properties of (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide?
(3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-benzyl-4-hydroxy-2-oxo-1H-imidazol-5-yl)methyl]-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 54052872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).