(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C19H23N5O3 — CID 95124126

IUPAC(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(C(=O)N3CCNCC3)[nH]c2C1
InChIInChI=1S/C19H23N5O3/c1-27-15-5-3-2-4-13(15)12-10-14-16(18(25)21-11-12)23-17(22-14)19(26)24-8-6-20-7-9-24/h2-5,12,20H,6-11H2,1H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyDAGWVDZOCRDGFS-LBPRGKRZSA-N
MW369.43 g/mol
LogP0.53
Rot. Bonds3

About (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 95124126) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID95124126
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(C(=O)N3CCNCC3)[nH]c2C1
InChIInChI=1S/C19H23N5O3/c1-27-15-5-3-2-4-13(15)12-10-14-16(18(25)21-11-12)23-17(22-14)19(26)24-8-6-20-7-9-24/h2-5,12,20H,6-11H2,1H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyDAGWVDZOCRDGFS-LBPRGKRZSA-N
XLogP0.53
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one with MolForge

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Related Compounds

8-[Cyclopropyl-(4-methoxy-phenyl)-methyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
CID 15010010
8-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
CID 44361848
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide;hydrochloride
CID 44532658
4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzamide
CID 52933189
2-[[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]methyl]-1H-cyclohepta[d]imidazol-4-one
CID 71488232
2-{(R)-3-[4-(4-Methoxy-3-methyl-benzoyl)-piperidin-1-yl]-2-oxo-pyrrolidin-1-ylmethyl}-3H-cycloheptaimidazol-4-one
CID 71488286
2-[[(3S)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]methyl]-1H-cyclohepta[d]imidazol-4-one
CID 71488287
2-[[(3R)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]methyl]-1H-cyclohepta[d]imidazol-4-one
CID 71488288
2-[[(3S)-3-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]methyl]-1H-cyclohepta[d]imidazol-4-one
CID 89375779
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
CID 16018392
US10138229, Example 59
CID 89968973
US10138229, Example 87
CID 89968982

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 95124126) is (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COc1ccccc1[C@@H]1CNC(=O)c2nc(C(=O)N3CCNCC3)[nH]c2C1.
What is the InChIKey of (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is DAGWVDZOCRDGFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-27-15-5-3-2-4-13(15)12-10-14-16(18(25)21-11-12)23-17(22-14)19(26)24-8-6-20-7-9-24/h2-5,12,20H,6-11H2,1H3,(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 369.43 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 95124126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).