2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

C18H25N5O3 — CID 125008475

IUPAC2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(CN2CCOCC2)CC1
InChIInChI=1S/C18H25N5O3/c24-17(14-2-3-15-16(12-14)20-21-19-15)23-6-1-4-18(25,5-7-23)13-22-8-10-26-11-9-22/h2-3,12,25H,1,4-11,13H2,(H,19,20,21)/t18-/m0/s1
InChIKeyUVDXBGJZTCMQEF-SFHVURJKSA-N
MW359.43 g/mol
LogP0.65
Rot. Bonds3

About 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (PubChem CID 125008475) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
PubChem CID125008475
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(CN2CCOCC2)CC1
InChIInChI=1S/C18H25N5O3/c24-17(14-2-3-15-16(12-14)20-21-19-15)23-6-1-4-18(25,5-7-23)13-22-8-10-26-11-9-22/h2-3,12,25H,1,4-11,13H2,(H,19,20,21)/t18-/m0/s1
InChIKeyUVDXBGJZTCMQEF-SFHVURJKSA-N
XLogP0.65
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone 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

2H-benzotriazol-5-yl-[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 124985934
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
3H-benzimidazol-5-yl-[4-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyazepan-1-yl]methanone
CID 110098126
7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 132770902
(5-fluoro-3-methyl-1H-indol-2-yl)-[4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110123307
N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 124977974
2H-benzotriazol-5-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72925092
N-[4-[(4S)-4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 124973054
(3-fluoro-4-methoxyphenyl)-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 127248054

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (CID 125008475) is 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(CN2CCOCC2)CC1.
What is the InChIKey of 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The InChIKey is UVDXBGJZTCMQEF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-17(14-2-3-15-16(12-14)20-21-19-15)23-6-1-4-18(25,5-7-23)13-22-8-10-26-11-9-22/h2-3,12,25H,1,4-11,13H2,(H,19,20,21)/t18-/m0/s1.
What are the key properties of 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 125008475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).