N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide

C26H42N4O3 — CID 170757934

IUPACN-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(c2cnc[nH]2)CC1)C(C)OCC1CCC2(CCC2)CC1
InChIInChI=1S/C26H42N4O3/c1-18(2)24(31)29-23(19(3)33-16-20-5-11-26(12-6-20)9-4-10-26)25(32)30-13-7-21(8-14-30)22-15-27-17-28-22/h15,17-21,23H,4-14,16H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyVHOYGBJIAUTGNO-UHFFFAOYSA-N
MW458.65 g/mol
LogP4.02
Rot. Bonds8

About N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide

N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide (PubChem CID 170757934) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide
PubChem CID170757934
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC NameN-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC(c2cnc[nH]2)CC1)C(C)OCC1CCC2(CCC2)CC1
InChIInChI=1S/C26H42N4O3/c1-18(2)24(31)29-23(19(3)33-16-20-5-11-26(12-6-20)9-4-10-26)25(32)30-13-7-21(8-14-30)22-15-27-17-28-22/h15,17-21,23H,4-14,16H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyVHOYGBJIAUTGNO-UHFFFAOYSA-N
XLogP4.02
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 171593689
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
CID 171594312
3-cyclopentyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
CID 19097445
N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]formamide
CID 170758430
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 90647724
1-butan-2-yl-4-(1H-imidazol-5-yl)piperidine
CID 167991940
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 129359240
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide (CID 170757934) is N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCC(c2cnc[nH]2)CC1)C(C)OCC1CCC2(CCC2)CC1.
What is the InChIKey of N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide?
The InChIKey is VHOYGBJIAUTGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-18(2)24(31)29-23(19(3)33-16-20-5-11-26(12-6-20)9-4-10-26)25(32)30-13-7-21(8-14-30)22-15-27-17-28-22/h15,17-21,23H,4-14,16H2,1-3H3,(H,27,28)(H,29,31).
What are the key properties of N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide?
N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide has a molecular weight of 458.65 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).