N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

C18H29N5O3 — CID 110112053

IUPACN-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C18H29N5O3/c1-14(24)21-15-3-8-22(9-4-15)12-18(26)5-2-7-23(10-6-18)17(25)16-11-19-13-20-16/h11,13,15,26H,2-10,12H2,1H3,(H,19,20)(H,21,24)
InChIKeyANYVKRQQEBLNNL-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.37
Rot. Bonds4

About N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 110112053) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID110112053
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C18H29N5O3/c1-14(24)21-15-3-8-22(9-4-15)12-18(26)5-2-7-23(10-6-18)17(25)16-11-19-13-20-16/h11,13,15,26H,2-10,12H2,1H3,(H,19,20)(H,21,24)
InChIKeyANYVKRQQEBLNNL-UHFFFAOYSA-N
XLogP0.37
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 110112053) is N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CC2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1.
What is the InChIKey of N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ANYVKRQQEBLNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(24)21-15-3-8-22(9-4-15)12-18(26)5-2-7-23(10-6-18)17(25)16-11-19-13-20-16/h11,13,15,26H,2-10,12H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).