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

C19H31N5O3 — CID 110098133

IUPACN-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1
InChIInChI=1S/C19H31N5O3/c1-15(25)20-16-4-11-23(12-5-16)14-19(27)7-3-9-24(13-8-19)18(26)17-6-10-22(2)21-17/h6,10,16,27H,3-5,7-9,11-14H2,1-2H3,(H,20,25)
InChIKeyNLYCMYVYDQLOQB-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.38
Rot. Bonds4

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

N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 110098133) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID110098133
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1
InChIInChI=1S/C19H31N5O3/c1-15(25)20-16-4-11-23(12-5-16)14-19(27)7-3-9-24(13-8-19)18(26)17-6-10-22(2)21-17/h6,10,16,27H,3-5,7-9,11-14H2,1-2H3,(H,20,25)
InChIKeyNLYCMYVYDQLOQB-UHFFFAOYSA-N
XLogP0.38
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[4-hydroxy-1-(1-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123189
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098129
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-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110112053
N-[1-[[4-hydroxy-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123178
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)-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)-4-hydroxy-1-(4-methyl-1,3-thiazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124988342
N-[1-[[(4S)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125013574

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 110098133) is N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1.
What is the InChIKey of N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is NLYCMYVYDQLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-15(25)20-16-4-11-23(12-5-16)14-19(27)7-3-9-24(13-8-19)18(26)17-6-10-22(2)21-17/h6,10,16,27H,3-5,7-9,11-14H2,1-2H3,(H,20,25).
What are the key properties of N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110098133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).