N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

C21H32N4O3 — CID 110098129

IUPACN-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-16-4-5-18(14-22-16)20(27)25-10-3-8-21(28,9-13-25)15-24-11-6-19(7-12-24)23-17(2)26/h4-5,14,19,28H,3,6-13,15H2,1-2H3,(H,23,26)
InChIKeyCEQZAIGRPANPLR-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.35
Rot. Bonds4

About N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 110098129) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID110098129
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-16-4-5-18(14-22-16)20(27)25-10-3-8-21(28,9-13-25)15-24-11-6-19(7-12-24)23-17(2)26/h4-5,14,19,28H,3,6-13,15H2,1-2H3,(H,23,26)
InChIKeyCEQZAIGRPANPLR-UHFFFAOYSA-N
XLogP1.35
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(4S)-4-hydroxy-1-(4-methoxybenzoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125021477
N-[1-[[(4R)-1-[4-(dimethylamino)benzoyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124969198
N-[1-[[(4R)-4-hydroxy-1-[4-(methoxymethyl)benzoyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124998669
N-[1-[[(4R)-1-(2,4-dimethylpyrimidine-5-carbonyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124984919
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098133
N-[1-[[(4R)-4-hydroxy-1-(4-methyl-1,3-thiazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124988342
N-[1-[[(4S)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124963059
N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110112053
N-[1-[[(4R)-4-hydroxy-1-(2-methyl-1,3-oxazole-4-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124999654
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123120
N-[1-[[(4S)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125013574
N-[1-[[4-hydroxy-1-(2-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123185

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 110098129) is N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccc(C)nc3)CC2)CC1.
What is the InChIKey of N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is CEQZAIGRPANPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16-4-5-18(14-22-16)20(27)25-10-3-8-21(28,9-13-25)15-24-11-6-19(7-12-24)23-17(2)26/h4-5,14,19,28H,3,6-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110098129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).