N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide

C23H30N6O2 — CID 155989790

IUPACN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCCn3c(C)nc4ccccc43)C2)ncn1
InChIInChI=1S/C23H30N6O2/c1-17-13-21(26-16-25-17)28-11-6-10-23(31,15-28)14-24-22(30)9-5-12-29-18(2)27-19-7-3-4-8-20(19)29/h3-4,7-8,13,16,31H,5-6,9-12,14-15H2,1-2H3,(H,24,30)
InChIKeyMKJYOAGZBNIXDT-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.37
Rot. Bonds7

About N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide

N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide (PubChem CID 155989790) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
PubChem CID155989790
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCCn3c(C)nc4ccccc43)C2)ncn1
InChIInChI=1S/C23H30N6O2/c1-17-13-21(26-16-25-17)28-11-6-10-23(31,15-28)14-24-22(30)9-5-12-29-18(2)27-19-7-3-4-8-20(19)29/h3-4,7-8,13,16,31H,5-6,9-12,14-15H2,1-2H3,(H,24,30)
InChIKeyMKJYOAGZBNIXDT-UHFFFAOYSA-N
XLogP2.37
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
CID 155989766
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
CID 155989842
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 155989763
3-(3-fluorophenyl)-N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 110124398
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 110155359
3-(1H-benzimidazol-2-yl)-N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 124991644
3-(1H-benzimidazol-2-yl)-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 124991645
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125001107

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The IUPAC name of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide (CID 155989790) is N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The canonical SMILES for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide is Cc1cc(N2CCCC(O)(CNC(=O)CCCn3c(C)nc4ccccc43)C2)ncn1.
What is the InChIKey of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The InChIKey is MKJYOAGZBNIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-17-13-21(26-16-25-17)28-11-6-10-23(31,15-28)14-24-22(30)9-5-12-29-18(2)27-19-7-3-4-8-20(19)29/h3-4,7-8,13,16,31H,5-6,9-12,14-15H2,1-2H3,(H,24,30).
What are the key properties of N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide?
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide has a molecular weight of 422.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 155989790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).