N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

C21H32N4O3 — CID 110123120

IUPACN-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-17(26)23-19-5-11-24(12-6-19)16-21(28)7-3-10-25(13-8-21)20(27)14-18-4-2-9-22-15-18/h2,4,9,15,19,28H,3,5-8,10-14,16H2,1H3,(H,23,26)
InChIKeyYNOWJWKXRQNNET-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.97
Rot. Bonds5

About N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 110123120) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID110123120
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-17(26)23-19-5-11-24(12-6-19)16-21(28)7-3-10-25(13-8-21)20(27)14-18-4-2-9-22-15-18/h2,4,9,15,19,28H,3,5-8,10-14,16H2,1H3,(H,23,26)
InChIKeyYNOWJWKXRQNNET-UHFFFAOYSA-N
XLogP0.97
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098093
N-[1-[[(4S)-1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008831
N-[1-[[(4S)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124963059
N-[1-[[(4S)-4-hydroxy-1-(2-methylpropanoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125010208
N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110112053
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098133
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-(2-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123185
N-[1-[[(4S)-4-hydroxy-1-(4-methoxybenzoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125021477
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-[[4-hydroxy-1-(1-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123189
N-[1-[[(4S)-4-hydroxy-1-(1H-indole-2-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008294

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 110123120) is N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1.
What is the InChIKey of N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is YNOWJWKXRQNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-17(26)23-19-5-11-24(12-6-19)16-21(28)7-3-10-25(13-8-21)20(27)14-18-4-2-9-22-15-18/h2,4,9,15,19,28H,3,5-8,10-14,16H2,1H3,(H,23,26).
What are the key properties of N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 0.97, 5 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-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110123120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).